#------------------------------------------------------------------------------
#$Date: 2019-10-11 03:03:46 +0300 (Fri, 11 Oct 2019) $
#$Revision: 219262 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/42/7124298.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7124298
loop_
_publ_author_name
'Shi, Dongliang'
'Yang, Xiaoping'
'Chen, Hongfen'
'Jiang, Dongmei'
'Liu, Jieni'
'Ma, Yanan'
'Schipper, Desmond'
'Jones, Richard A.'
_publ_section_title
;
 Large Ln42 coordination nanorings: NIR luminescent sensing of metal ions
 and nitro explosives
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC07430A
_journal_year                    2019
_chemical_formula_sum            'C280 H378 La42 O238'
_chemical_formula_weight         13386.04
_chemical_name_systematic        Cluster-2
_chemical_properties_physical    Heat-sensitive
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-07-25 deposited with the CCDC.    2019-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   24.689(5)
_cell_length_b                   39.712(8)
_cell_length_c                   34.537(7)
_cell_measurement_reflns_used    8922
_cell_measurement_temperature    190(1)
_cell_measurement_theta_max      27.8950
_cell_measurement_theta_min      1.3518
_cell_volume                     31834(13)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      190(1)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1119
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            54890
_diffrn_reflns_theta_full        24.94
_diffrn_reflns_theta_max         24.94
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    2.815
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'DENZO and Scalepack (Otwinoski and Minor, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             12712
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         2.001
_refine_diff_density_min         -1.562
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2521
_refine_ls_number_reflns         54890
_refine_ls_number_restraints     1681
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0837P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1496
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                32119
_reflns_number_total             54890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9cc07430a2.cif
_cod_data_source_block           cluster-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        31833(11)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7124298
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
La1 La -0.32291(3) 0.503808(16) -0.419542(17) 0.03847(15) Uani 1 1 d U
La2 La -0.37900(3) 0.497063(15) -0.323204(17) 0.03781(15) Uani 1 1 d U
La3 La -0.30953(3) 0.407959(15) -0.290533(17) 0.03949(16) Uani 1 1 d U
La4 La 0.36853(3) 0.665856(15) -0.169613(17) 0.03982(16) Uani 1 1 d U
La5 La 0.34973(3) 0.596636(14) -0.106020(16) 0.03515(15) Uani 1 1 d U
La6 La 0.24254(3) 0.599802(15) -0.223567(17) 0.03699(15) Uani 1 1 d U
La7 La -0.41313(3) 0.363364(15) -0.237808(17) 0.03951(16) Uani 1 1 d U
La8 La 0.00257(3) 0.531701(16) -0.322485(18) 0.04148(16) Uani 1 1 d U
La9 La -0.15511(3) 0.494366(16) -0.369863(17) 0.03938(16) Uani 1 1 d U
La10 La -0.24903(3) 0.554718(16) -0.328203(18) 0.04254(16) Uani 1 1 d U
La11 La -0.47249(3) 0.437238(15) -0.187231(17) 0.04016(16) Uani 1 1 d U
La12 La -0.49269(3) 0.394098(15) -0.088126(16) 0.03590(15) Uani 1 1 d U
La13 La 0.34119(3) 0.687964(15) -0.066142(17) 0.04056(16) Uani 1 1 d U
La14 La -0.50133(3) 0.317200(16) -0.018772(18) 0.04517(17) Uani 1 1 d U
La15 La 0.14093(3) 0.648375(17) -0.322071(19) 0.04832(18) Uani 1 1 d U
La16 La -0.01834(3) 0.630075(16) -0.31931(2) 0.04735(18) Uani 1 1 d U
La17 La -0.46397(3) 0.410750(16) -0.346151(17) 0.04068(16) Uani 1 1 d U
La18 La -0.55209(3) 0.358369(16) -0.205164(17) 0.04182(16) Uani 1 1 d U
La19 La -0.09129(3) 0.572086(18) -0.416510(19) 0.05197(19) Uani 1 1 d U
La20 La 0.11722(3) 0.661181(16) -0.22452(2) 0.04709(17) Uani 1 1 d U
La21 La -0.37715(3) 0.322453(16) -0.053931(18) 0.04597(17) Uani 1 1 d U
O1 O 0.3271(4) 0.75083(19) -0.0737(2) 0.069(2) Uani 1 1 d U
O2 O 0.3311(3) 0.70969(19) -0.1338(2) 0.056(2) Uani 1 1 d U
O3 O 0.2984(4) 0.7006(2) -0.2196(3) 0.071(2) Uani 1 1 d U
O4 O 0.2944(4) 0.5620(2) -0.2582(2) 0.069(2) Uani 1 1 d U
O5 O 0.2016(3) 0.59846(19) -0.2989(2) 0.059(2) Uani 1 1 d U
O6 O 0.1057(4) 0.6048(2) -0.3731(3) 0.074(3) Uani 1 1 d U
O7 O -0.0672(4) 0.6851(2) -0.3471(3) 0.085(3) Uani 1 1 d U
O8 O -0.0990(4) 0.6256(2) -0.3840(2) 0.068(2) Uani 1 1 d U
O9 O -0.1913(4) 0.5868(2) -0.4341(3) 0.086(3) Uani 1 1 d U
O10 O -0.1401(4) 0.4460(2) -0.4129(2) 0.066(2) Uani 1 1 d U
O11 O -0.2420(3) 0.4665(2) -0.4127(2) 0.059(2) Uani 1 1 d U
O12 O -0.3545(4) 0.4466(2) -0.4223(3) 0.071(2) Uani 1 1 d U
O13 O -0.4625(4) 0.5376(2) -0.3452(2) 0.062(2) Uani 1 1 d U
O14 O -0.4735(3) 0.4711(2) -0.3360(2) 0.062(2) Uani 1 1 d U
O15 O -0.5455(4) 0.4198(2) -0.3238(2) 0.067(2) Uani 1 1 d U
O16 O -0.4140(4) 0.3022(2) -0.2616(2) 0.063(2) Uani 1 1 d U
O17 O -0.4794(3) 0.32539(19) -0.2200(2) 0.056(2) Uani 1 1 d U
O18 O -0.5365(4) 0.3079(2) -0.1640(2) 0.064(2) Uani 1 1 d U
O19 O -0.5795(3) 0.42623(19) -0.0854(2) 0.059(2) Uani 1 1 d U
O20 O -0.5336(3) 0.37418(19) -0.0369(2) 0.057(2) Uani 1 1 d U
O21 O -0.5121(4) 0.3444(2) 0.0409(2) 0.067(2) Uani 1 1 d U
O22 O 0.4349(4) 0.7110(2) -0.0472(2) 0.066(2) Uani 1 1 d U
O23 O 0.4033(3) 0.65900(18) -0.0047(2) 0.058(2) Uani 1 1 d U
H23A H 0.4027 0.6345 -0.0078 0.087 Uiso 1 1 calc R
O24 O 0.3092(4) 0.7024(2) -0.0106(2) 0.076(3) Uani 1 1 d U
O25 O 0.3993(3) 0.58903(18) -0.0338(2) 0.054(2) Uani 1 1 d U
O26 O 0.4746(4) 0.6662(2) -0.1412(2) 0.071(2) Uani 1 1 d U
O27 O 0.4311(4) 0.7149(2) -0.1649(3) 0.077(3) Uani 1 1 d U
O28 O 0.3910(3) 0.65143(18) -0.0975(2) 0.056(2) Uani 1 1 d U
H28B H 0.4326 0.6510 -0.0824 0.068 Uiso 1 1 calc R
O29 O 0.3969(4) 0.6593(2) -0.2323(2) 0.067(2) Uani 1 1 d U
O30 O 0.3179(3) 0.63215(18) -0.2346(2) 0.057(2) Uani 1 1 d U
O31 O 0.2895(3) 0.63377(17) -0.1617(2) 0.0474(18) Uani 1 1 d U
H31A H 0.2624 0.6476 -0.1534 0.057 Uiso 1 1 calc R
O32 O 0.3953(3) 0.60694(19) -0.1605(2) 0.058(2) Uani 1 1 d U
O33 O 0.4487(3) 0.5809(2) -0.1030(2) 0.065(2) Uani 1 1 d U
O34 O 0.2935(3) 0.56252(19) -0.1672(2) 0.057(2) Uani 1 1 d U
O35 O 0.3410(4) 0.53340(19) -0.1115(2) 0.069(2) Uani 1 1 d U
O36 O 0.2594(3) 0.5841(2) -0.0921(2) 0.060(2) Uani 1 1 d U
O37 O 0.3000(3) 0.63387(17) -0.0706(2) 0.0497(19) Uani 1 1 d U
O38 O 0.1871(4) 0.6747(2) -0.1604(2) 0.066(2) Uani 1 1 d U
O39 O 0.2422(3) 0.6978(2) -0.1000(2) 0.065(2) Uani 1 1 d U
O40 O 0.1960(3) 0.65160(18) -0.2483(2) 0.060(2) Uani 1 1 d U
H40B H 0.2232 0.6705 -0.2418 0.072 Uiso 1 1 calc R
O41 O 0.1677(3) 0.60758(19) -0.1962(2) 0.060(2) Uani 1 1 d U
O42 O 0.0848(4) 0.6175(2) -0.1869(3) 0.074(2) Uani 1 1 d U
O43 O 0.2045(4) 0.6963(2) -0.3141(3) 0.086(3) Uani 1 1 d U
O44 O 0.2142(5) 0.6545(3) -0.3551(3) 0.094(3) Uani 1 1 d U
O45 O 0.0858(3) 0.62266(19) -0.2829(2) 0.058(2) Uani 1 1 d U
H45B H 0.0966 0.5992 -0.2752 0.069 Uiso 1 1 calc R
O46 O 0.0907(4) 0.6819(2) -0.3859(3) 0.088(3) Uani 1 1 d U
O47 O 0.0325(4) 0.6544(2) -0.3597(3) 0.074(3) Uani 1 1 d U
O48 O 0.1388(4) 0.7219(2) -0.2347(3) 0.091(3) Uani 1 1 d U
O49 O 0.0980(4) 0.6920(2) -0.2930(3) 0.079(3) Uani 1 1 d U
O50 O 0.0465(4) 0.6916(2) -0.1994(3) 0.092(3) Uani 1 1 d U
O51 O 0.0104(3) 0.6650(2) -0.2595(3) 0.066(2) Uani 1 1 d U
O52 O -0.0024(3) 0.58378(19) -0.3590(2) 0.063(2) Uani 1 1 d U
H52B H 0.0309 0.5873 -0.3679 0.076 Uiso 1 1 calc R
O53 O -0.0984(3) 0.54631(19) -0.3547(2) 0.060(2) Uani 1 1 d U
H53B H -0.1118 0.5621 -0.3382 0.072 Uiso 1 1 calc R
O54 O -0.0979(6) 0.6152(3) -0.4703(3) 0.120(4) Uani 1 1 d U
O55 O -0.0180(4) 0.5827(3) -0.4477(3) 0.095(3) Uani 1 1 d U
O56 O -0.0569(3) 0.4796(2) -0.3348(2) 0.064(2) Uani 1 1 d U
O57 O 0.0344(4) 0.4738(2) -0.2946(3) 0.079(3) Uani 1 1 d U
O58 O -0.0108(3) 0.58018(19) -0.2805(2) 0.058(2) Uani 1 1 d U
O59 O -0.0186(4) 0.5289(2) -0.2575(2) 0.066(2) Uani 1 1 d U
O60 O -0.0345(4) 0.5218(2) -0.4006(3) 0.076(3) Uani 1 1 d U
O61 O 0.0591(4) 0.5138(3) -0.3661(3) 0.089(3) Uani 1 1 d U
O62 O -0.1323(4) 0.5420(2) -0.4838(3) 0.084(3) Uani 1 1 d U
O63 O -0.1532(3) 0.5188(2) -0.4325(2) 0.064(2) Uani 1 1 d U
O64 O -0.1668(4) 0.5897(2) -0.3149(3) 0.068(2) Uani 1 1 d U
O65 O -0.1013(4) 0.6313(2) -0.3016(3) 0.075(3) Uani 1 1 d U
O66 O -0.1657(3) 0.51540(18) -0.3088(2) 0.054(2) Uani 1 1 d U
O67 O -0.1986(4) 0.5300(2) -0.2580(3) 0.077(3) Uani 1 1 d U
O68 O -0.2318(3) 0.53365(18) -0.3878(2) 0.056(2) Uani 1 1 d U
H68A H -0.2263 0.5518 -0.4053 0.067 Uiso 1 1 calc R
O69 O -0.2349(3) 0.4336(2) -0.3097(2) 0.061(2) Uani 1 1 d U
O70 O -0.1640(3) 0.4452(2) -0.3341(2) 0.060(2) Uani 1 1 d U
O71 O -0.3185(4) 0.5402(2) -0.4756(3) 0.076(3) Uani 1 1 d U
O72 O -0.3336(4) 0.4866(2) -0.4912(2) 0.070(2) Uani 1 1 d U
O73 O -0.2874(4) 0.6034(2) -0.3740(3) 0.083(3) Uani 1 1 d U
O74 O -0.3401(3) 0.5574(2) -0.3908(2) 0.060(2) Uani 1 1 d U
O75 O -0.4099(3) 0.50075(19) -0.3961(2) 0.055(2) Uani 1 1 d U
O76 O -0.4236(3) 0.5129(2) -0.4611(2) 0.063(2) Uani 1 1 d U
O77 O -0.2746(4) 0.5940(2) -0.2803(3) 0.082(3) Uani 1 1 d U
O78 O -0.3301(3) 0.54923(19) -0.3007(2) 0.061(2) Uani 1 1 d U
O79 O -0.2934(3) 0.49983(18) -0.3444(2) 0.053(2) Uani 1 1 d U
H79D H -0.2663 0.4814 -0.3331 0.064 Uiso 1 1 calc R
O80 O -0.3108(4) 0.3750(2) -0.3533(3) 0.076(3) Uani 1 1 d U
O81 O -0.3874(4) 0.3695(2) -0.3327(2) 0.066(2) Uani 1 1 d U
O82 O -0.5316(4) 0.4308(2) -0.4122(3) 0.077(3) Uani 1 1 d U
O83 O -0.4547(4) 0.4014(2) -0.4132(3) 0.071(2) Uani 1 1 d U
O84 O -0.3078(3) 0.46786(19) -0.2686(2) 0.056(2) Uani 1 1 d U
O85 O -0.2616(4) 0.4319(2) -0.2211(2) 0.072(2) Uani 1 1 d U
O86 O -0.4051(4) 0.5083(2) -0.2650(2) 0.064(2) Uani 1 1 d U
O87 O -0.4370(4) 0.46898(19) -0.2305(2) 0.065(2) Uani 1 1 d U
O88 O -0.2373(4) 0.3635(2) -0.2562(3) 0.077(3) Uani 1 1 d U
O89 O -0.3192(4) 0.3613(2) -0.2449(2) 0.066(2) Uani 1 1 d U
O90 O -0.3765(3) 0.44031(17) -0.3438(2) 0.054(2) Uani 1 1 d U
H90A H -0.3692 0.4386 -0.3699 0.064 Uiso 1 1 calc R
O91 O -0.4000(3) 0.41307(18) -0.2754(2) 0.053(2) Uani 1 1 d U
H91D H -0.4029 0.4343 -0.2617 0.064 Uiso 1 1 calc R
O92 O -0.4795(4) 0.3602(2) -0.3059(2) 0.067(2) Uani 1 1 d U
O93 O -0.5234(4) 0.3594(2) -0.3737(3) 0.072(2) Uani 1 1 d U
O94 O -0.3730(4) 0.4440(2) -0.1376(2) 0.065(2) Uani 1 1 d U
O95 O -0.3840(3) 0.40671(17) -0.1878(2) 0.0519(19) Uani 1 1 d U
O96 O -0.4789(4) 0.4924(2) -0.1539(2) 0.069(2) Uani 1 1 d U
O97 O -0.4968(3) 0.39262(18) -0.2365(2) 0.057(2) Uani 1 1 d U
H97D H -0.5204 0.4006 -0.2639 0.068 Uiso 1 1 calc R
O98 O -0.5665(4) 0.4609(2) -0.2365(3) 0.078(3) Uani 1 1 d U
O99 O -0.5741(3) 0.41669(19) -0.1976(2) 0.059(2) Uani 1 1 d U
O100 O -0.4873(4) 0.44692(19) -0.1206(2) 0.060(2) Uani 1 1 d U
O101 O -0.6186(4) 0.3714(2) -0.2735(3) 0.077(3) Uani 1 1 d U
O102 O -0.6090(4) 0.3165(2) -0.2578(3) 0.089(3) Uani 1 1 d U
O103 O -0.3577(4) 0.33357(19) -0.1805(2) 0.061(2) Uani 1 1 d U
O104 O -0.3763(4) 0.3320(2) -0.1208(2) 0.066(2) Uani 1 1 d U
O105 O -0.4721(3) 0.38392(18) -0.1513(2) 0.0515(19) Uani 1 1 d U
H10P H -0.4362 0.3714 -0.1462 0.062 Uiso 1 1 calc R
O106 O -0.4778(3) 0.33542(18) -0.0789(2) 0.058(2) Uani 1 1 d U
H10Q H -0.4989 0.3226 -0.1037 0.070 Uiso 1 1 calc R
O107 O -0.5757(3) 0.3695(2) -0.1386(2) 0.059(2) Uani 1 1 d U
O108 O -0.6469(4) 0.3529(2) -0.1948(2) 0.070(2) Uani 1 1 d U
O109 O -0.4140(5) 0.2678(2) -0.0900(3) 0.091(3) Uani 1 1 d U
O110 O -0.4346(4) 0.2769(2) -0.0316(3) 0.078(3) Uani 1 1 d U
O111 O -0.2830(5) 0.2939(3) -0.0454(3) 0.109(3) Uani 1 1 d U
O112 O -0.3922(3) 0.38462(18) -0.0654(2) 0.059(2) Uani 1 1 d U
O113 O -0.3039(4) 0.3676(2) -0.0311(3) 0.083(3) Uani 1 1 d U
O114 O -0.4540(3) 0.42805(19) -0.0296(2) 0.058(2) Uani 1 1 d U
O115 O -0.5213(4) 0.2659(2) 0.0159(3) 0.084(3) Uani 1 1 d U
O116 O -0.5675(5) 0.2857(3) -0.0776(3) 0.099(3) Uani 1 1 d U
O117 O -0.6083(5) 0.3165(3) -0.0315(4) 0.134(4) Uani 1 1 d U
O118 O 0.1883(3) 0.55018(18) -0.2412(2) 0.057(2) Uani 1 1 d U
O119 O 0.0971(3) 0.54727(18) -0.2813(2) 0.056(2) Uani 1 1 d U
C1 C 0.3289(7) 0.7733(3) -0.0414(4) 0.095(5) Uani 1 1 d U
H1A H 0.3421 0.7950 -0.0469 0.142 Uiso 1 1 calc R
H1B H 0.3549 0.7648 -0.0158 0.142 Uiso 1 1 calc R
H1C H 0.2911 0.7755 -0.0397 0.142 Uiso 1 1 calc R
C2 C 0.2963(7) 0.7617(4) -0.1139(5) 0.086(4) Uani 1 1 d U
C3 C 0.2669(6) 0.7917(4) -0.1234(5) 0.085(4) Uani 1 1 d U
H3A H 0.2654 0.8054 -0.1020 0.102 Uiso 1 1 calc R
C4 C 0.2395(7) 0.8024(4) -0.1634(5) 0.100(5) Uani 1 1 d U
H4A H 0.2189 0.8225 -0.1696 0.120 Uiso 1 1 calc R
C5 C 0.2454(7) 0.7791(4) -0.1964(5) 0.098(5) Uani 1 1 d U
H5A H 0.2289 0.7849 -0.2240 0.118 Uiso 1 1 calc R
C6 C 0.2762(6) 0.7485(3) -0.1852(4) 0.067(4) Uani 1 1 d U
C7 C 0.3024(6) 0.7381(3) -0.1450(4) 0.074(4) Uani 1 1 d U
C8 C 0.2738(6) 0.7279(3) -0.2203(4) 0.068(4) Uani 1 1 d U
H8A H 0.2516 0.7361 -0.2461 0.082 Uiso 1 1 calc R
C9 C 0.3492(6) 0.5460(3) -0.2391(4) 0.088(4) Uani 1 1 d U
H9A H 0.3655 0.5402 -0.2598 0.131 Uiso 1 1 calc R
H9B H 0.3441 0.5259 -0.2252 0.131 Uiso 1 1 calc R
H9C H 0.3747 0.5611 -0.2195 0.131 Uiso 1 1 calc R
C10 C 0.2607(6) 0.5513(3) -0.2986(4) 0.065(3) Uani 1 1 d U
C11 C 0.2719(6) 0.5219(4) -0.3149(4) 0.083(4) Uani 1 1 d U
H11C H 0.3032 0.5087 -0.3002 0.099 Uiso 1 1 calc R
C12 C 0.2347(6) 0.5114(4) -0.3554(4) 0.082(4) Uani 1 1 d U
H12A H 0.2413 0.4914 -0.3669 0.098 Uiso 1 1 calc R
C13 C 0.1896(6) 0.5317(3) -0.3760(4) 0.080(4) Uani 1 1 d U
H13A H 0.1667 0.5255 -0.4025 0.096 Uiso 1 1 calc R
C14 C 0.1761(6) 0.5612(3) -0.3594(4) 0.069(4) Uani 1 1 d U
C15 C 0.2115(5) 0.5713(3) -0.3181(3) 0.053(3) Uani 1 1 d U
C16 C 0.1261(6) 0.5784(4) -0.3823(4) 0.072(4) Uani 1 1 d U
H16A H 0.1053 0.5689 -0.4077 0.086 Uiso 1 1 calc R
C17 C -0.0466(8) 0.7186(4) -0.3327(6) 0.135(7) Uani 1 1 d U
H17A H -0.0560 0.7337 -0.3558 0.202 Uiso 1 1 calc R
H17B H -0.0055 0.7180 -0.3193 0.202 Uiso 1 1 calc R
H17C H -0.0645 0.7262 -0.3136 0.202 Uiso 1 1 calc R
C18 C -0.1247(8) 0.6829(4) -0.3762(5) 0.105(5) Uani 1 1 d U
C19 C -0.1619(7) 0.7095(4) -0.3825(5) 0.107(5) Uani 1 1 d U
H19A H -0.1496 0.7300 -0.3695 0.128 Uiso 1 1 calc R
C20 C -0.2210(8) 0.7050(5) -0.4100(6) 0.121(6) Uani 1 1 d U
H20A H -0.2475 0.7225 -0.4147 0.145 Uiso 1 1 calc R
C21 C -0.2372(7) 0.6733(4) -0.4296(5) 0.103(5) Uani 1 1 d U
H21A H -0.2737 0.6706 -0.4491 0.123 Uiso 1 1 calc R
C22 C -0.1975(7) 0.6451(4) -0.4194(5) 0.088(4) Uani 1 1 d U
C23 C -0.1380(7) 0.6500(4) -0.3934(4) 0.082(4) Uani 1 1 d U
C24 C -0.2186(7) 0.6133(4) -0.4388(4) 0.083(4) Uani 1 1 d U
H24A H -0.2566 0.6127 -0.4565 0.099 Uiso 1 1 calc R
C25 C -0.0865(6) 0.4375(4) -0.4196(4) 0.089(5) Uani 1 1 d U
H25A H -0.0951 0.4283 -0.4468 0.134 Uiso 1 1 calc R
H25B H -0.0657 0.4212 -0.3995 0.134 Uiso 1 1 calc R
H25C H -0.0635 0.4575 -0.4170 0.134 Uiso 1 1 calc R
C26 C -0.1846(6) 0.4235(3) -0.4279(4) 0.061(3) Uani 1 1 d U
C27 C -0.1790(7) 0.3917(4) -0.4417(4) 0.084(4) Uani 1 1 d U
H27A H -0.1436 0.3851 -0.4432 0.101 Uiso 1 1 calc R
C28 C -0.2270(6) 0.3681(3) -0.4542(4) 0.076(4) Uani 1 1 d U
H28A H -0.2233 0.3465 -0.4635 0.091 Uiso 1 1 calc R
C29 C -0.2787(7) 0.3796(4) -0.4514(4) 0.080(4) Uani 1 1 d U
H29A H -0.3102 0.3651 -0.4592 0.096 Uiso 1 1 calc R
C30 C -0.2857(6) 0.4122(3) -0.4374(4) 0.061(3) Uani 1 1 d U
C31 C -0.2389(5) 0.4358(3) -0.4253(4) 0.058(3) Uani 1 1 d U
C32 C -0.3413(5) 0.4196(3) -0.4342(4) 0.055(3) Uani 1 1 d U
H32A H -0.3692 0.4028 -0.4416 0.066 Uiso 1 1 calc R
C33 C -0.4563(6) 0.5731(3) -0.3537(4) 0.080(4) Uani 1 1 d U
H33A H -0.4937 0.5828 -0.3669 0.120 Uiso 1 1 calc R
H33B H -0.4339 0.5751 -0.3716 0.120 Uiso 1 1 calc R
H33C H -0.4372 0.5847 -0.3284 0.120 Uiso 1 1 calc R
C34 C -0.5153(6) 0.5254(3) -0.3445(4) 0.065(3) Uani 1 1 d U
C35 C -0.5596(6) 0.5482(4) -0.3489(4) 0.071(4) Uani 1 1 d U
H35A H -0.5554 0.5712 -0.3522 0.085 Uiso 1 1 calc R
C36 C -0.6131(7) 0.5333(4) -0.3482(4) 0.083(4) Uani 1 1 d U
H36A H -0.6445 0.5471 -0.3509 0.100 Uiso 1 1 calc R
C37 C -0.6183(6) 0.4992(3) -0.3436(3) 0.063(3) Uani 1 1 d U
H37A H -0.6532 0.4902 -0.3438 0.076 Uiso 1 1 calc R
C38 C -0.5709(6) 0.4781(3) -0.3386(4) 0.064(3) Uani 1 1 d U
C39 C -0.5177(5) 0.4906(3) -0.3400(3) 0.051(3) Uani 1 1 d U
C40 C -0.5791(6) 0.4441(3) -0.3295(3) 0.063(3) Uani 1 1 d U
H40A H -0.6149 0.4392 -0.3275 0.076 Uiso 1 1 calc R
C41 C -0.3794(6) 0.2902(3) -0.2850(4) 0.075(4) Uani 1 1 d U
H41A H -0.4013 0.2743 -0.3052 0.112 Uiso 1 1 calc R
H41B H -0.3454 0.2795 -0.2668 0.112 Uiso 1 1 calc R
H41C H -0.3686 0.3089 -0.2985 0.112 Uiso 1 1 calc R
C42 C -0.4355(6) 0.2776(3) -0.2425(4) 0.062(3) Uani 1 1 d U
C43 C -0.4253(6) 0.2437(3) -0.2422(4) 0.066(4) Uani 1 1 d U
H43A H -0.4039 0.2354 -0.2577 0.079 Uiso 1 1 calc R
C44 C -0.4461(5) 0.2212(3) -0.2195(4) 0.059(3) Uani 1 1 d U
H44A H -0.4387 0.1983 -0.2199 0.070 Uiso 1 1 calc R
C45 C -0.4778(6) 0.2335(3) -0.1966(4) 0.073(4) Uani 1 1 d U
H45A H -0.4910 0.2187 -0.1809 0.088 Uiso 1 1 calc R
C46 C -0.4909(5) 0.2687(3) -0.1964(4) 0.062(3) Uani 1 1 d U
C47 C -0.4709(5) 0.2920(3) -0.2194(3) 0.055(3) Uani 1 1 d U
C48 C -0.5211(6) 0.2782(3) -0.1684(4) 0.067(4) Uani 1 1 d U
H48A H -0.5296 0.2613 -0.1527 0.081 Uiso 1 1 calc R
C49 C -0.6155(6) 0.4486(3) -0.1156(4) 0.071(4) Uani 1 1 d U
H49A H -0.6543 0.4402 -0.1252 0.106 Uiso 1 1 calc R
H49B H -0.6016 0.4502 -0.1384 0.106 Uiso 1 1 calc R
H49C H -0.6147 0.4705 -0.1037 0.106 Uiso 1 1 calc R
C50 C -0.5909(6) 0.4240(3) -0.0481(4) 0.060(3) Uani 1 1 d U
C51 C -0.6244(6) 0.4468(3) -0.0377(4) 0.067(4) Uani 1 1 d U
H51A H -0.6419 0.4643 -0.0555 0.080 Uiso 1 1 calc R
C52 C -0.6323(6) 0.4431(3) 0.0021(4) 0.073(4) Uani 1 1 d U
H52A H -0.6562 0.4578 0.0097 0.087 Uiso 1 1 calc R
C53 C -0.6042(6) 0.4177(3) 0.0283(4) 0.077(4) Uani 1 1 d U
H53A H -0.6067 0.4165 0.0545 0.092 Uiso 1 1 calc R
C54 C -0.5714(5) 0.3934(3) 0.0161(4) 0.061(3) Uani 1 1 d U
C55 C -0.5647(5) 0.3964(3) -0.0231(4) 0.057(3) Uani 1 1 d U
C56 C -0.5415(6) 0.3680(3) 0.0449(4) 0.068(4) Uani 1 1 d U
H56A H -0.5450 0.3697 0.0708 0.082 Uiso 1 1 calc R
C57 C 0.4471(6) 0.5349(3) -0.0257(4) 0.071(4) Uani 1 1 d U
H57A H 0.4725 0.5222 -0.0032 0.106 Uiso 1 1 calc R
H57B H 0.4662 0.5398 -0.0451 0.106 Uiso 1 1 calc R
H57C H 0.4129 0.5221 -0.0391 0.106 Uiso 1 1 calc R
C58 C 0.4311(5) 0.5674(3) -0.0098(4) 0.059(3) Uani 1 1 d U
C59 C 0.4905(6) 0.5862(3) -0.1571(4) 0.077(4) Uani 1 1 d U
H59A H 0.5066 0.6075 -0.1606 0.116 Uiso 1 1 calc R
H59B H 0.4750 0.5752 -0.1833 0.116 Uiso 1 1 calc R
H59C H 0.5201 0.5724 -0.1386 0.116 Uiso 1 1 calc R
C60 C 0.4432(5) 0.5917(3) -0.1394(4) 0.057(3) Uani 1 1 d U
C61 C 0.5354(7) 0.7139(4) -0.1404(6) 0.124(6) Uani 1 1 d U
H61A H 0.5519 0.7188 -0.1115 0.186 Uiso 1 1 calc R
H61B H 0.5306 0.7344 -0.1559 0.186 Uiso 1 1 calc R
H61C H 0.5604 0.6990 -0.1483 0.186 Uiso 1 1 calc R
C62 C 0.4757(7) 0.6967(4) -0.1493(5) 0.082(4) Uani 1 1 d U
C63 C 0.2129(7) 0.7206(4) -0.0174(5) 0.110(5) Uani 1 1 d U
H63A H 0.1912 0.7239 0.0007 0.165 Uiso 1 1 calc R
H63B H 0.1942 0.7040 -0.0378 0.165 Uiso 1 1 calc R
H63C H 0.2151 0.7415 -0.0308 0.165 Uiso 1 1 calc R
C64 C 0.2701(7) 0.7094(4) 0.0061(4) 0.087(4) Uani 1 1 d U
C65 C 0.2688(6) 0.5036(3) -0.1674(4) 0.086(4) Uani 1 1 d U
H65A H 0.2891 0.4907 -0.1817 0.128 Uiso 1 1 calc R
H65B H 0.2322 0.5105 -0.1865 0.128 Uiso 1 1 calc R
H65C H 0.2630 0.4900 -0.1462 0.128 Uiso 1 1 calc R
C66 C 0.3043(5) 0.5347(3) -0.1481(4) 0.063(3) Uani 1 1 d U
C67 C 0.2064(6) 0.6233(3) -0.0646(4) 0.075(4) Uani 1 1 d U
H67A H 0.2116 0.6154 -0.0373 0.113 Uiso 1 1 calc R
H67B H 0.1715 0.6141 -0.0836 0.113 Uiso 1 1 calc R
H67C H 0.2041 0.6474 -0.0652 0.113 Uiso 1 1 calc R
C68 C 0.2567(6) 0.6123(3) -0.0768(3) 0.058(3) Uani 1 1 d U
C69 C 0.1560(6) 0.7265(4) -0.1382(5) 0.099(5) Uani 1 1 d U
H69A H 0.1692 0.7412 -0.1148 0.148 Uiso 1 1 calc R
H69B H 0.1187 0.7178 -0.1406 0.148 Uiso 1 1 calc R
H69C H 0.1535 0.7387 -0.1627 0.148 Uiso 1 1 calc R
C70 C 0.1979(5) 0.6976(3) -0.1325(4) 0.057(3) Uani 1 1 d U
C71 C 0.2773(8) 0.7013(5) -0.3445(7) 0.180(10) Uani 1 1 d DU
H71A H 0.2709 0.7251 -0.3449 0.271 Uiso 1 1 calc R
H71B H 0.2794 0.6943 -0.3706 0.271 Uiso 1 1 calc R
H71C H 0.3128 0.6959 -0.3230 0.271 Uiso 1 1 calc R
C72 C 0.2300(7) 0.6839(4) -0.3369(5) 0.087(5) Uani 1 1 d DU
C73 C 0.1581(6) 0.4981(3) -0.2760(4) 0.073(4) Uani 1 1 d U
H73A H 0.1976 0.4924 -0.2616 0.109 Uiso 1 1 calc R
H73B H 0.1502 0.4964 -0.3051 0.109 Uiso 1 1 calc R
H73C H 0.1334 0.4830 -0.2681 0.109 Uiso 1 1 calc R
C74 C 0.1469(5) 0.5339(3) -0.2653(3) 0.050(3) Uani 1 1 d U
C75 C 0.1180(8) 0.7518(4) -0.2984(5) 0.127(6) Uani 1 1 d U
H75A H 0.1364 0.7473 -0.3182 0.191 Uiso 1 1 calc R
H75B H 0.1388 0.7692 -0.2799 0.191 Uiso 1 1 calc R
H75C H 0.0791 0.7591 -0.3123 0.191 Uiso 1 1 calc R
C76 C 0.1175(7) 0.7208(4) -0.2747(5) 0.083(4) Uani 1 1 d U
C77 C 0.1297(6) 0.5635(3) -0.1648(4) 0.074(4) Uani 1 1 d U
H77A H 0.1484 0.5648 -0.1355 0.111 Uiso 1 1 calc R
H77B H 0.1512 0.5490 -0.1764 0.111 Uiso 1 1 calc R
H77C H 0.0915 0.5547 -0.1708 0.111 Uiso 1 1 calc R
C78 C 0.1264(6) 0.5970(3) -0.1826(4) 0.063(3) Uani 1 1 d U
C79 C 0.3508(6) 0.6241(4) -0.2924(4) 0.082(4) Uani 1 1 d U
H79A H 0.3216 0.6358 -0.3140 0.123 Uiso 1 1 calc R
H79B H 0.3406 0.6008 -0.2926 0.123 Uiso 1 1 calc R
H79C H 0.3871 0.6261 -0.2967 0.123 Uiso 1 1 calc R
C80 C 0.3558(6) 0.6396(3) -0.2511(4) 0.058(3) Uani 1 1 d U
C81 C -0.0122(7) 0.6878(4) -0.4224(5) 0.108(5) Uani 1 1 d U
H81A H -0.0275 0.7066 -0.4120 0.162 Uiso 1 1 calc R
H81B H -0.0411 0.6706 -0.4316 0.162 Uiso 1 1 calc R
H81C H -0.0010 0.6951 -0.4451 0.162 Uiso 1 1 calc R
C82 C 0.0405(7) 0.6737(4) -0.3881(5) 0.086(4) Uani 1 1 d U
C83 C -0.0556(8) 0.6881(5) -0.2291(6) 0.137(7) Uani 1 1 d U
H83A H -0.0720 0.7066 -0.2471 0.205 Uiso 1 1 calc R
H83B H -0.0542 0.6936 -0.2017 0.205 Uiso 1 1 calc R
H83C H -0.0789 0.6684 -0.2385 0.205 Uiso 1 1 calc R
C84 C 0.0053(7) 0.6813(4) -0.2290(5) 0.088(5) Uani 1 1 d U
C85 C -0.0294(9) 0.6183(5) -0.5062(6) 0.146(7) Uani 1 1 d U
H85A H -0.0074 0.6385 -0.4971 0.218 Uiso 1 1 calc R
H85B H -0.0632 0.6233 -0.5294 0.218 Uiso 1 1 calc R
H85C H -0.0064 0.6019 -0.5140 0.218 Uiso 1 1 calc R
C86 C -0.0469(10) 0.6045(5) -0.4719(6) 0.118(6) Uani 1 1 d U
C87 C 0.0262(7) 0.5030(4) -0.4410(5) 0.096(5) Uani 1 1 d U
H87A H 0.0355 0.5228 -0.4533 0.144 Uiso 1 1 calc R
H87B H -0.0088 0.4934 -0.4593 0.144 Uiso 1 1 calc R
H87C H 0.0569 0.4870 -0.4359 0.144 Uiso 1 1 calc R
C88 C 0.0180(8) 0.5126(4) -0.3995(5) 0.087(4) Uani 1 1 d U
C89 C -0.1960(7) 0.6470(3) -0.3080(5) 0.094(5) Uani 1 1 d U
H89A H -0.1776 0.6686 -0.3024 0.141 Uiso 1 1 calc R
H89B H -0.2124 0.6417 -0.2872 0.141 Uiso 1 1 calc R
H89C H -0.2260 0.6475 -0.3345 0.141 Uiso 1 1 calc R
C90 C -0.1529(6) 0.6209(4) -0.3081(4) 0.073(4) Uani 1 1 d U
C91 C -0.0418(6) 0.5759(3) -0.2213(4) 0.072(4) Uani 1 1 d U
H91A H -0.0105 0.5758 -0.1955 0.108 Uiso 1 1 calc R
H91B H -0.0734 0.5632 -0.2187 0.108 Uiso 1 1 calc R
H91C H -0.0539 0.5987 -0.2288 0.108 Uiso 1 1 calc R
C92 C -0.0221(5) 0.5601(3) -0.2545(4) 0.058(3) Uani 1 1 d U
C93 C -0.0296(7) 0.4256(4) -0.3036(5) 0.108(5) Uani 1 1 d U
H93A H -0.0118 0.4105 -0.3175 0.161 Uiso 1 1 calc R
H93B H -0.0706 0.4223 -0.3140 0.161 Uiso 1 1 calc R
H93C H -0.0152 0.4210 -0.2746 0.161 Uiso 1 1 calc R
C94 C -0.0157(6) 0.4616(3) -0.3112(4) 0.066(4) Uani 1 1 d U
C95 C -0.1909(6) 0.4911(3) -0.5002(4) 0.078(4) Uani 1 1 d U
H95A H -0.2093 0.5000 -0.5273 0.116 Uiso 1 1 calc R
H95B H -0.2197 0.4823 -0.4899 0.116 Uiso 1 1 calc R
H95C H -0.1650 0.4734 -0.5011 0.116 Uiso 1 1 calc R
C96 C -0.1578(6) 0.5188(4) -0.4720(4) 0.073(4) Uani 1 1 d U
C97 C -0.1270(6) 0.4870(3) -0.2416(4) 0.075(4) Uani 1 1 d U
H97A H -0.0910 0.4979 -0.2275 0.112 Uiso 1 1 calc R
H97B H -0.1204 0.4679 -0.2565 0.112 Uiso 1 1 calc R
H97C H -0.1442 0.4795 -0.2220 0.112 Uiso 1 1 calc R
C98 C -0.1668(6) 0.5113(3) -0.2712(4) 0.062(3) Uani 1 1 d U
C99 C -0.3752(7) 0.6058(4) -0.4319(5) 0.099(5) Uani 1 1 d U
H99A H -0.3702 0.5991 -0.4572 0.148 Uiso 1 1 calc R
H99B H -0.3695 0.6297 -0.4283 0.148 Uiso 1 1 calc R
H99C H -0.4134 0.6002 -0.4328 0.148 Uiso 1 1 calc R
C100 C -0.3330(7) 0.5883(4) -0.3975(4) 0.075(4) Uani 1 1 d U
C101 C -0.3407(7) 0.5818(4) -0.2448(5) 0.107(5) Uani 1 1 d U
H10A H -0.3709 0.5981 -0.2551 0.160 Uiso 1 1 calc R
H10B H -0.3124 0.5902 -0.2201 0.160 Uiso 1 1 calc R
H10C H -0.3566 0.5612 -0.2388 0.160 Uiso 1 1 calc R
C102 C -0.3134(6) 0.5754(3) -0.2762(4) 0.063(3) Uani 1 1 d U
C103 C -0.3417(6) 0.5260(4) -0.5464(4) 0.082(4) Uani 1 1 d U
H10D H -0.3129 0.5164 -0.5560 0.123 Uiso 1 1 calc R
H10E H -0.3409 0.5501 -0.5487 0.123 Uiso 1 1 calc R
H10F H -0.3790 0.5178 -0.5629 0.123 Uiso 1 1 calc R
C104 C -0.3294(6) 0.5163(4) -0.5016(4) 0.063(3) Uani 1 1 d U
C105 C -0.5076(5) 0.5121(3) -0.4404(4) 0.071(4) Uani 1 1 d U
H10G H -0.5187 0.4983 -0.4215 0.107 Uiso 1 1 calc R
H10H H -0.5283 0.5051 -0.4681 0.107 Uiso 1 1 calc R
H10I H -0.5163 0.5352 -0.4370 0.107 Uiso 1 1 calc R
C106 C -0.4445(5) 0.5084(3) -0.4319(4) 0.061(3) Uani 1 1 d U
C107 C -0.1777(6) 0.3878(3) -0.3233(5) 0.088(4) Uani 1 1 d U
H10J H -0.1457 0.3864 -0.3330 0.132 Uiso 1 1 calc R
H10K H -0.2099 0.3757 -0.3417 0.132 Uiso 1 1 calc R
H10L H -0.1672 0.3783 -0.2962 0.132 Uiso 1 1 calc R
C108 C -0.1943(5) 0.4245(3) -0.3218(4) 0.055(3) Uani 1 1 d U
C109 C -0.2687(6) 0.4892(3) -0.2007(4) 0.076(4) Uani 1 1 d U
H10M H -0.2309 0.4984 -0.1953 0.114 Uiso 1 1 calc R
H10N H -0.2719 0.4808 -0.1755 0.114 Uiso 1 1 calc R
H10O H -0.2970 0.5065 -0.2117 0.114 Uiso 1 1 calc R
C110 C -0.2783(5) 0.4615(3) -0.2307(3) 0.058(3) Uani 1 1 d U
C111 C -0.4760(6) 0.5249(3) -0.2360(4) 0.070(4) Uani 1 1 d U
H11D H -0.4722 0.5460 -0.2484 0.104 Uiso 1 1 calc R
H11E H -0.4657 0.5278 -0.2068 0.104 Uiso 1 1 calc R
H11F H -0.5152 0.5173 -0.2473 0.104 Uiso 1 1 calc R
C112 C -0.4371(6) 0.4994(3) -0.2447(4) 0.058(3) Uani 1 1 d U
C113 C -0.5132(8) 0.4265(4) -0.4766(5) 0.108(5) Uani 1 1 d U
H11G H -0.5290 0.4066 -0.4922 0.163 Uiso 1 1 calc R
H11H H -0.4796 0.4335 -0.4825 0.163 Uiso 1 1 calc R
H11I H -0.5413 0.4442 -0.4840 0.163 Uiso 1 1 calc R
C114 C -0.4968(6) 0.4190(3) -0.4312(4) 0.061(3) Uani 1 1 d U
C115 C -0.2402(7) 0.3268(4) -0.2006(4) 0.093(5) Uani 1 1 d U
H11J H -0.2434 0.3044 -0.2118 0.140 Uiso 1 1 calc R
H11K H -0.2605 0.3280 -0.1814 0.140 Uiso 1 1 calc R
H11L H -0.2003 0.3321 -0.1868 0.140 Uiso 1 1 calc R
C116 C -0.2661(6) 0.3517(3) -0.2353(4) 0.070(4) Uani 1 1 d U
C117 C -0.3877(6) 0.3358(3) -0.3913(4) 0.083(4) Uani 1 1 d U
H11M H -0.3801 0.3425 -0.4157 0.125 Uiso 1 1 calc R
H11N H -0.4285 0.3353 -0.3970 0.125 Uiso 1 1 calc R
H11O H -0.3719 0.3138 -0.3830 0.125 Uiso 1 1 calc R
C118 C -0.3600(6) 0.3608(3) -0.3569(4) 0.066(4) Uani 1 1 d U
C119 C -0.5375(6) 0.3106(3) -0.3363(4) 0.077(4) Uani 1 1 d U
H11P H -0.5686 0.3123 -0.3257 0.116 Uiso 1 1 calc R
H11Q H -0.5076 0.2967 -0.3184 0.116 Uiso 1 1 calc R
H11R H -0.5513 0.3008 -0.3633 0.116 Uiso 1 1 calc R
C120 C -0.5138(6) 0.3451(4) -0.3387(4) 0.075(4) Uani 1 1 d U
C121 C -0.2896(5) 0.4086(3) -0.1342(4) 0.065(3) Uani 1 1 d U
H12B H -0.2647 0.4234 -0.1425 0.098 Uiso 1 1 calc R
H12C H -0.2860 0.3861 -0.1431 0.098 Uiso 1 1 calc R
H12D H -0.2790 0.4091 -0.1048 0.098 Uiso 1 1 calc R
C122 C -0.3514(6) 0.4203(3) -0.1536(4) 0.068(4) Uani 1 1 d U
C123 C -0.6631(6) 0.4405(3) -0.2467(4) 0.083(4) Uani 1 1 d U
H12E H -0.6780 0.4621 -0.2427 0.125 Uiso 1 1 calc R
H12F H -0.6800 0.4232 -0.2351 0.125 Uiso 1 1 calc R
H12G H -0.6724 0.4365 -0.2757 0.125 Uiso 1 1 calc R
C124 C -0.5975(6) 0.4402(3) -0.2255(4) 0.066(4) Uani 1 1 d U
C125 C -0.4788(6) 0.4990(3) -0.0845(4) 0.077(4) Uani 1 1 d U
H12H H -0.5171 0.5062 -0.0875 0.116 Uiso 1 1 calc R
H12I H -0.4546 0.5183 -0.0825 0.116 Uiso 1 1 calc R
H12J H -0.4637 0.4856 -0.0601 0.116 Uiso 1 1 calc R
C126 C -0.4803(5) 0.4790(3) -0.1203(4) 0.057(3) Uani 1 1 d U
C127 C -0.3310(6) 0.2835(3) -0.1389(4) 0.080(4) Uani 1 1 d U
H12K H -0.3331 0.2754 -0.1132 0.120 Uiso 1 1 calc R
H12L H -0.2915 0.2843 -0.1374 0.120 Uiso 1 1 calc R
H12M H -0.3521 0.2687 -0.1607 0.120 Uiso 1 1 calc R
C128 C -0.3565(5) 0.3182(3) -0.1472(4) 0.059(3) Uani 1 1 d U
C129 C -0.3207(6) 0.4280(3) -0.0362(4) 0.072(4) Uani 1 1 d U
H12N H -0.2874 0.4320 -0.0438 0.108 Uiso 1 1 calc R
H12O H -0.3122 0.4336 -0.0077 0.108 Uiso 1 1 calc R
H12P H -0.3521 0.4417 -0.0528 0.108 Uiso 1 1 calc R
C130 C -0.3369(6) 0.3926(3) -0.0427(4) 0.058(3) Uani 1 1 d U
C131 C -0.6835(10) 0.3305(5) -0.3198(7) 0.165(9) Uani 1 1 d U
H13B H -0.6733 0.3350 -0.3438 0.247 Uiso 1 1 calc R
H13C H -0.7175 0.3430 -0.3216 0.247 Uiso 1 1 calc R
H13D H -0.6908 0.3069 -0.3184 0.247 Uiso 1 1 calc R
C132 C -0.6344(8) 0.3411(5) -0.2815(6) 0.102(5) Uani 1 1 d U
C133 C -0.6687(6) 0.3618(3) -0.1317(4) 0.082(4) Uani 1 1 d U
H13E H -0.6468 0.3619 -0.1028 0.123 Uiso 1 1 calc R
H13F H -0.6930 0.3423 -0.1383 0.123 Uiso 1 1 calc R
H13G H -0.6921 0.3818 -0.1386 0.123 Uiso 1 1 calc R
C134 C -0.6281(6) 0.3611(3) -0.1562(4) 0.069(4) Uani 1 1 d U
C135 C -0.6656(10) 0.2782(5) -0.0854(7) 0.173(9) Uani 1 1 d U
H13H H -0.6873 0.2907 -0.1095 0.260 Uiso 1 1 calc R
H13I H -0.6869 0.2771 -0.0668 0.260 Uiso 1 1 calc R
H13J H -0.6589 0.2558 -0.0933 0.260 Uiso 1 1 calc R
C136 C -0.6064(9) 0.2961(5) -0.0637(7) 0.120(6) Uani 1 1 d U
C137 C -0.4585(6) 0.2366(3) 0.0767(4) 0.086(4) Uani 1 1 d U
H13K H -0.4493 0.2453 0.1042 0.129 Uiso 1 1 calc R
H13L H -0.4262 0.2241 0.0747 0.129 Uiso 1 1 calc R
H13M H -0.4914 0.2221 0.0706 0.129 Uiso 1 1 calc R
C138 C -0.4724(6) 0.2665(3) 0.0453(4) 0.064(3) Uani 1 1 d U
C139 C -0.4718(7) 0.2257(4) -0.0682(5) 0.107(5) Uani 1 1 d U
H13O H -0.4459 0.2071 -0.0647 0.160 Uiso 1 1 calc R
H13P H -0.5005 0.2248 -0.0952 0.160 Uiso 1 1 calc R
H13Q H -0.4901 0.2246 -0.0478 0.160 Uiso 1 1 calc R
C140 C -0.4383(7) 0.2586(4) -0.0633(5) 0.088(4) Uani 1 1 d U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O12 La1 O11 70.8(3) . .
O12 La1 O76 82.2(3) . .
O11 La1 O76 141.9(3) . .
O12 La1 O68 135.7(3) . .
O11 La1 O68 69.7(3) . .
O76 La1 O68 142.1(3) . .
O12 La1 O74 138.0(3) . .
O11 La1 O74 137.8(3) . .
O76 La1 O74 80.0(3) . .
O68 La1 O74 69.9(3) . .
O12 La1 O79 87.5(3) . .
O11 La1 O79 85.4(2) . .
O76 La1 O79 120.6(3) . .
O68 La1 O79 70.1(2) . .
O74 La1 O79 69.9(2) . .
O12 La1 O71 129.1(3) . .
O11 La1 O71 100.4(3) . .
O76 La1 O71 76.0(3) . .
O68 La1 O71 77.7(3) . .
O74 La1 O71 82.4(3) . .
O79 La1 O71 143.0(3) . .
O12 La1 O72 77.2(3) . .
O11 La1 O72 74.7(3) . .
O76 La1 O72 73.4(3) . .
O68 La1 O72 110.4(3) . .
O74 La1 O72 131.8(3) . .
O79 La1 O72 157.9(3) . .
O71 La1 O72 52.8(3) . .
O12 La1 O75 70.6(3) . .
O11 La1 O75 133.9(2) . .
O76 La1 O75 52.5(2) . .
O68 La1 O75 128.8(2) . .
O74 La1 O75 68.3(3) . .
O79 La1 O75 68.8(2) . .
O71 La1 O75 123.4(3) . .
O72 La1 O75 119.2(3) . .
O12 La1 C104 102.7(4) . .
O11 La1 C104 88.2(3) . .
O76 La1 C104 71.7(3) . .
O68 La1 C104 95.4(3) . .
O74 La1 C104 107.2(3) . .
O79 La1 C104 165.4(3) . .
O71 La1 C104 26.7(3) . .
O72 La1 C104 26.2(3) . .
O75 La1 C104 124.2(3) . .
O12 La1 C106 75.3(3) . .
O11 La1 C106 146.1(3) . .
O76 La1 C106 26.4(3) . .
O68 La1 C106 141.7(3) . .
O74 La1 C106 71.9(3) . .
O79 La1 C106 94.5(3) . .
O71 La1 C106 99.8(3) . .
O72 La1 C106 96.7(3) . .
O75 La1 C106 26.2(3) . .
C104 La1 C106 98.1(4) . .
O12 La1 La10 128.1(2) . .
O11 La1 La10 95.81(18) . .
O76 La1 La10 122.2(2) . .
O68 La1 La10 40.12(17) . .
O74 La1 La10 43.56(18) . .
O79 La1 La10 40.81(17) . .
O71 La1 La10 102.2(2) . .
O72 La1 La10 149.2(2) . .
O75 La1 La10 88.77(17) . .
C104 La1 La10 127.4(3) . .
C106 La1 La10 106.2(2) . .
O86 La2 O90 118.6(3) . .
O86 La2 O75 144.3(3) . .
O90 La2 O75 76.8(3) . .
O86 La2 O78 79.2(3) . .
O90 La2 O78 149.3(3) . .
O75 La2 O78 103.7(3) . .
O86 La2 O84 76.1(3) . .
O90 La2 O84 71.9(2) . .
O75 La2 O84 138.6(3) . .
O78 La2 O84 90.6(3) . .
O86 La2 O14 73.3(3) . .
O90 La2 O14 70.5(3) . .
O75 La2 O14 83.8(3) . .
O78 La2 O14 140.1(3) . .
O84 La2 O14 109.7(3) . .
O86 La2 O79 139.3(3) . .
O90 La2 O79 80.8(2) . .
O75 La2 O79 71.3(2) . .
O78 La2 O79 70.7(2) . .
O84 La2 O79 77.4(2) . .
O14 La2 O79 145.7(2) . .
O86 La2 O13 72.7(3) . .
O90 La2 O13 128.2(3) . .
O75 La2 O13 73.0(3) . .
O78 La2 O13 79.4(3) . .
O84 La2 O13 148.5(2) . .
O14 La2 O13 65.3(3) . .
O79 La2 O13 125.4(2) . .
O86 La2 La3 98.3(2) . .
O90 La2 La3 34.52(18) . .
O75 La2 La3 108.15(18) . .
O78 La2 La3 124.39(19) . .
O84 La2 La3 37.38(17) . .
O14 La2 La3 88.23(19) . .
O79 La2 La3 77.92(17) . .
O13 La2 La3 153.42(19) . .
O86 La2 La17 93.12(19) . .
O90 La2 La17 35.14(17) . .
O75 La2 La17 83.35(18) . .
O78 La2 La17 172.19(19) . .
O84 La2 La17 86.26(18) . .
O14 La2 La17 36.08(19) . .
O79 La2 La17 115.41(17) . .
O13 La2 La17 99.74(19) . .
La3 La2 La17 55.00(2) . .
O86 La2 La10 112.72(19) . .
O90 La2 La10 115.38(17) . .
O75 La2 La10 83.76(18) . .
O78 La2 La10 36.22(19) . .
O84 La2 La10 85.79(19) . .
O14 La2 La10 164.46(18) . .
O79 La2 La10 34.74(17) . .
O13 La2 La10 102.02(19) . .
La3 La2 La10 104.50(2) . .
La17 La2 La10 150.15(2) . .
O86 La2 La1 164.81(19) . .
O90 La2 La1 76.32(17) . .
O75 La2 La1 36.48(18) . .
O78 La2 La1 86.21(19) . .
O84 La2 La1 108.42(18) . .
O14 La2 La1 116.98(18) . .
O79 La2 La1 34.87(15) . .
O13 La2 La1 100.70(17) . .
La3 La2 La1 93.32(2) . .
La17 La2 La1 101.56(2) . .
La10 La2 La1 54.42(2) . .
O69 La3 O90 87.4(3) . .
O69 La3 O91 149.6(3) . .
O90 La3 O91 71.3(2) . .
O69 La3 O85 86.9(3) . .
O90 La3 O85 121.2(3) . .
O91 La3 O85 86.1(3) . .
O69 La3 O84 75.1(3) . .
O90 La3 O84 69.9(2) . .
O91 La3 O84 77.3(2) . .
O85 La3 O84 52.1(3) . .
O69 La3 O81 127.8(3) . .
O90 La3 O81 71.7(2) . .
O91 La3 O81 66.5(3) . .
O85 La3 O81 144.9(3) . .
O84 La3 O81 133.7(3) . .
O69 La3 O89 137.7(3) . .
O90 La3 O89 134.1(3) . .
O91 La3 O89 68.9(3) . .
O85 La3 O89 77.9(3) . .
O84 La3 O89 120.8(3) . .
O81 La3 O89 72.2(3) . .
O69 La3 O88 86.5(3) . .
O90 La3 O88 160.0(3) . .
O91 La3 O88 120.5(3) . .
O85 La3 O88 77.5(3) . .
O84 La3 O88 126.5(3) . .
O81 La3 O88 97.3(3) . .
O89 La3 O88 51.9(3) . .
O69 La3 O80 76.6(3) . .
O90 La3 O80 79.3(3) . .
O91 La3 O80 118.5(3) . .
O85 La3 O80 153.4(3) . .
O84 La3 O80 138.5(3) . .
O81 La3 O80 53.2(3) . .
O89 La3 O80 100.5(3) . .
O88 La3 O80 80.8(3) . .
O69 La3 C110 80.9(3) . .
O90 La3 C110 95.8(3) . .
O91 La3 C110 80.1(3) . .
O85 La3 C110 25.6(3) . .
O84 La3 C110 26.5(3) . .
O81 La3 C110 146.5(3) . .
O89 La3 C110 98.9(3) . .
O88 La3 C110 102.0(3) . .
O80 La3 C110 157.1(3) . .
O69 La3 C118 102.8(3) . .
O90 La3 C118 74.9(3) . .
O91 La3 C118 92.6(3) . .
O85 La3 C118 162.1(3) . .
O84 La3 C118 144.7(3) . .
O81 La3 C118 26.4(3) . .
O89 La3 C118 85.0(3) . .
O88 La3 C118 87.9(3) . .
O80 La3 C118 26.8(3) . .
C110 La3 C118 169.7(4) . .
O69 La3 C116 111.4(4) . .
O90 La3 C116 157.9(3) . .
O91 La3 C116 94.7(3) . .
O85 La3 C116 73.2(3) . .
O84 La3 C116 124.9(3) . .
O81 La3 C116 87.2(3) . .
O89 La3 C116 26.5(3) . .
O88 La3 C116 25.8(3) . .
O80 La3 C116 93.4(3) . .
C110 La3 C116 98.5(4) . .
C118 La3 C116 89.2(4) . .
O3 La4 O32 137.8(3) . .
O3 La4 O31 88.4(3) . .
O32 La4 O31 70.9(2) . .
O3 La4 O28 136.4(3) . .
O32 La4 O28 71.5(2) . .
O31 La4 O28 70.8(2) . .
O3 La4 O27 82.9(3) . .
O32 La4 O27 128.3(3) . .
O31 La4 O27 157.3(3) . .
O28 La4 O27 101.6(3) . .
O3 La4 O26 133.3(3) . .
O32 La4 O26 75.4(3) . .
O31 La4 O26 138.2(3) . .
O28 La4 O26 75.7(3) . .
O27 La4 O26 53.8(3) . .
O3 La4 O2 70.0(3) . .
O32 La4 O2 137.9(2) . .
O31 La4 O2 82.0(2) . .
O28 La4 O2 69.5(2) . .
O27 La4 O2 75.2(3) . .
O26 La4 O2 108.9(3) . .
O3 La4 O29 77.6(3) . .
O32 La4 O29 82.4(3) . .
O31 La4 O29 121.0(2) . .
O28 La4 O29 145.9(3) . .
O27 La4 O29 77.6(3) . .
O26 La4 O29 76.8(3) . .
O2 La4 O29 139.7(2) . .
O3 La4 O30 69.7(3) . .
O32 La4 O30 68.7(2) . .
O31 La4 O30 69.5(2) . .
O28 La4 O30 130.7(2) . .
O27 La4 O30 125.7(3) . .
O26 La4 O30 119.3(3) . .
O2 La4 O30 130.6(3) . .
O29 La4 O30 51.8(2) . .
O3 La4 C62 108.4(4) . .
O32 La4 C62 101.5(4) . .
O31 La4 C62 159.6(4) . .
O28 La4 C62 88.9(4) . .
O27 La4 C62 27.2(3) . .
O26 La4 C62 26.7(3) . .
O2 La4 C62 92.8(4) . .
O29 La4 C62 75.0(4) . .
O30 La4 C62 126.4(4) . .
O3 La4 C80 72.5(3) . .
O32 La4 C80 73.4(3) . .
O31 La4 C80 95.4(3) . .
O28 La4 C80 144.8(3) . .
O27 La4 C80 101.8(3) . .
O26 La4 C80 97.8(3) . .
O2 La4 C80 142.5(3) . .
O29 La4 C80 25.7(3) . .
O30 La4 C80 26.1(3) . .
C62 La4 C80 100.5(4) . .
O3 La4 La5 130.8(2) . .
O32 La4 La5 43.83(18) . .
O31 La4 La5 42.50(16) . .
O28 La4 La5 40.16(17) . .
O27 La4 La5 139.8(2) . .
O26 La4 La5 95.8(2) . .
O2 La4 La5 94.77(17) . .
O29 La4 La5 124.90(19) . .
O30 La4 La5 90.54(16) . .
C62 La4 La5 119.1(4) . .
C80 La4 La5 108.5(2) . .
O28 La5 O25 86.6(2) . .
O28 La5 O31 70.8(2) . .
O25 La5 O31 147.4(2) . .
O28 La5 O36 122.2(3) . .
O25 La5 O36 87.0(3) . .
O31 La5 O36 85.9(2) . .
O28 La5 O33 81.4(3) . .
O25 La5 O33 77.2(3) . .
O31 La5 O33 120.2(2) . .
O36 La5 O33 150.9(3) . .
O28 La5 O37 70.0(2) . .
O25 La5 O37 74.1(2) . .
O31 La5 O37 76.2(2) . .
O36 La5 O37 53.1(2) . .
O33 La5 O37 140.3(3) . .
O28 La5 O34 133.9(2) . .
O25 La5 O34 138.9(2) . .
O31 La5 O34 69.6(2) . .
O36 La5 O34 77.2(3) . .
O33 La5 O34 98.8(3) . .
O37 La5 O34 120.8(2) . .
O28 La5 O35 160.5(3) . .
O25 La5 O35 87.3(2) . .
O31 La5 O35 121.4(2) . .
O36 La5 O35 75.8(3) . .
O33 La5 O35 79.2(3) . .
O37 La5 O35 125.7(3) . .
O34 La5 O35 52.2(2) . .
O28 La5 O32 70.4(2) . .
O25 La5 O32 126.6(3) . .
O31 La5 O32 68.2(2) . .
O36 La5 O32 146.1(3) . .
O33 La5 O32 52.7(2) . .
O37 La5 O32 133.3(2) . .
O34 La5 O32 73.6(2) . .
O35 La5 O32 98.9(3) . .
O28 La5 C68 96.8(3) . .
O25 La5 C68 81.2(3) . .
O31 La5 C68 78.7(3) . .
O36 La5 C68 25.6(3) . .
O33 La5 C68 158.4(3) . .
O37 La5 C68 27.5(3) . .
O34 La5 C68 97.7(3) . .
O35 La5 C68 100.5(3) . .
O32 La5 C68 146.8(3) . .
O28 La5 C66 156.9(3) . .
O25 La5 C66 113.0(3) . .
O31 La5 C66 95.1(3) . .
O36 La5 C66 72.9(3) . .
O33 La5 C66 90.8(3) . .
O37 La5 C66 125.6(3) . .
O34 La5 C66 26.0(3) . .
O35 La5 C66 26.4(3) . .
O32 La5 C66 87.6(3) . .
C68 La5 C66 98.1(4) . .
O28 La5 C60 75.4(3) . .
O25 La5 C60 102.2(3) . .
O31 La5 C60 94.6(3) . .
O36 La5 C60 161.0(3) . .
O33 La5 C60 26.1(3) . .
O37 La5 C60 145.3(3) . .
O34 La5 C60 85.1(3) . .
O35 La5 C60 87.9(3) . .
O32 La5 C60 26.6(3) . .
C68 La5 C60 171.1(3) . .
C66 La5 C60 88.1(4) . .
O118 La6 O41 76.1(3) . .
O118 La6 O40 118.2(3) . .
O41 La6 O40 71.5(3) . .
O118 La6 O30 144.6(3) . .
O41 La6 O30 138.4(3) . .
O40 La6 O30 77.5(3) . .
O118 La6 O34 77.8(3) . .
O41 La6 O34 91.2(3) . .
O40 La6 O34 150.9(3) . .
O30 La6 O34 103.7(3) . .
O118 La6 O5 73.3(3) . .
O41 La6 O5 109.4(3) . .
O40 La6 O5 70.3(3) . .
O30 La6 O5 84.5(3) . .
O34 La6 O5 138.7(3) . .
O118 La6 O31 138.2(2) . .
O41 La6 O31 77.4(2) . .
O40 La6 O31 82.2(2) . .
O30 La6 O31 71.5(2) . .
O34 La6 O31 71.1(2) . .
O5 La6 O31 146.8(2) . .
O118 La6 O4 73.4(3) . .
O41 La6 O4 149.2(3) . .
O40 La6 O4 127.4(3) . .
O30 La6 O4 72.3(3) . .
O34 La6 O4 79.0(3) . .
O5 La6 O4 64.9(3) . .
O31 La6 O4 125.0(3) . .
O118 La6 La20 98.11(19) . .
O41 La6 La20 37.10(18) . .
O40 La6 La20 34.41(19) . .
O30 La6 La20 108.53(19) . .
O34 La6 La20 125.22(19) . .
O5 La6 La20 88.05(19) . .
O31 La6 La20 78.65(16) . .
O4 La6 La20 152.90(19) . .
O118 La6 La15 92.74(19) . .
O41 La6 La15 85.87(18) . .
O40 La6 La15 35.15(18) . .
O30 La6 La15 84.33(17) . .
O34 La6 La15 170.57(18) . .
O5 La6 La15 35.83(18) . .
O31 La6 La15 116.81(16) . .
O4 La6 La15 99.05(19) . .
La20 La6 La15 54.97(2) . .
O118 La6 La4 162.74(19) . .
O41 La6 La4 108.45(19) . .
O40 La6 La4 78.65(18) . .
O30 La6 La4 37.03(18) . .
O34 La6 La4 85.32(18) . .
O5 La6 La4 118.79(18) . .
O31 La6 La4 34.49(17) . .
O4 La6 La4 99.83(19) . .
La20 La6 La4 94.70(3) . .
La15 La6 La4 104.11(3) . .
O118 La6 La5 110.92(18) . .
O41 La6 La5 86.28(18) . .
O40 La6 La5 117.53(18) . .
O30 La6 La5 84.14(17) . .
O34 La6 La5 35.80(17) . .
O5 La6 La5 164.30(19) . .
O31 La6 La5 35.57(15) . .
O4 La6 La5 101.20(19) . .
La20 La6 La5 105.85(3) . .
La15 La6 La5 152.39(2) . .
La4 La6 La5 53.99(2) . .
O103 La7 O92 146.2(3) . .
O103 La7 O95 78.7(3) . .
O92 La7 O95 134.2(3) . .
O103 La7 O97 119.8(3) . .
O92 La7 O97 74.6(3) . .
O95 La7 O97 71.4(3) . .
O103 La7 O89 76.1(3) . .
O92 La7 O89 105.1(3) . .
O95 La7 O89 92.0(3) . .
O97 La7 O89 152.5(3) . .
O103 La7 O91 136.2(3) . .
O92 La7 O91 71.8(3) . .
O95 La7 O91 74.8(2) . .
O97 La7 O91 83.6(2) . .
O89 La7 O91 70.6(3) . .
O103 La7 O17 73.8(3) . .
O92 La7 O17 85.5(3) . .
O95 La7 O17 109.1(2) . .
O97 La7 O17 68.8(3) . .
O89 La7 O17 138.6(3) . .
O91 La7 O17 148.2(3) . .
O103 La7 O16 74.2(3) . .
O92 La7 O16 72.7(3) . .
O95 La7 O16 152.9(2) . .
O97 La7 O16 123.8(3) . .
O89 La7 O16 80.6(3) . .
O91 La7 O16 125.6(2) . .
O17 La7 O16 64.2(2) . .
O103 La7 La11 101.67(19) . .
O92 La7 La11 104.1(2) . .
O95 La7 La11 37.14(18) . .
O97 La7 La11 34.26(17) . .
O89 La7 La11 125.8(2) . .
O91 La7 La11 76.76(17) . .
O17 La7 La11 88.05(17) . .
O16 La7 La11 152.13(18) . .
O103 La7 La18 92.7(2) . .
O92 La7 La18 84.6(2) . .
O95 La7 La18 84.61(18) . .
O97 La7 La18 34.86(17) . .
O89 La7 La18 168.82(18) . .
O91 La7 La18 118.40(18) . .
O17 La7 La18 35.11(18) . .
O16 La7 La18 97.54(18) . .
La11 La7 La18 54.757(19) . .
O103 La7 La17 161.8(2) . .
O92 La7 La17 37.2(2) . .
O95 La7 La17 105.12(17) . .
O97 La7 La17 77.92(17) . .
O89 La7 La17 85.84(18) . .
O91 La7 La17 34.62(16) . .
O17 La7 La17 120.09(18) . .
O16 La7 La17 100.38(18) . .
La11 La7 La17 91.09(2) . .
La18 La7 La17 105.32(3) . .
O103 La7 La3 109.3(2) . .
O92 La7 La3 84.6(2) . .
O95 La7 La3 85.88(18) . .
O97 La7 La3 118.89(18) . .
O89 La7 La3 35.75(18) . .
O91 La7 La3 35.31(18) . .
O17 La7 La3 165.01(17) . .
O16 La7 La3 102.03(18) . .
La11 La7 La3 105.23(2) . .
La18 La7 La3 153.70(2) . .
La17 La7 La3 54.04(2) . .
O119 La8 O52 87.3(3) . .
O119 La8 O53 149.5(3) . .
O52 La8 O53 72.2(3) . .
O119 La8 O59 86.4(3) . .
O52 La8 O59 121.8(3) . .
O53 La8 O59 85.7(3) . .
O119 La8 O61 78.2(3) . .
O52 La8 O61 82.3(3) . .
O53 La8 O61 119.5(3) . .
O59 La8 O61 150.9(3) . .
O119 La8 O56 136.4(3) . .
O52 La8 O56 134.8(3) . .
O53 La8 O56 70.5(3) . .
O59 La8 O56 79.8(3) . .
O61 La8 O56 94.5(3) . .
O119 La8 O58 75.4(3) . .
O52 La8 O58 69.4(3) . .
O53 La8 O58 76.3(3) . .
O59 La8 O58 53.0(2) . .
O61 La8 O58 141.8(3) . .
O56 La8 O58 123.6(3) . .
O119 La8 O57 83.9(3) . .
O52 La8 O57 160.3(3) . .
O53 La8 O57 122.1(3) . .
O59 La8 O57 75.3(3) . .
O61 La8 O57 78.7(3) . .
O56 La8 O57 52.7(3) . .
O58 La8 O57 124.6(3) . .
O119 La8 O60 126.7(3) . .
O52 La8 O60 69.1(3) . .
O53 La8 O60 67.2(3) . .
O59 La8 O60 146.8(3) . .
O61 La8 O60 52.5(3) . .
O56 La8 O60 73.4(3) . .
O58 La8 O60 131.1(3) . .
O57 La8 O60 102.5(3) . .
O119 La8 C92 81.1(3) . .
O52 La8 C92 96.0(3) . .
O53 La8 C92 79.0(3) . .
O59 La8 C92 26.0(3) . .
O61 La8 C92 159.3(3) . .
O56 La8 C92 101.0(3) . .
O58 La8 C92 27.1(3) . .
O57 La8 C92 100.0(3) . .
O60 La8 C92 145.7(3) . .
O119 La8 C94 110.0(3) . .
O52 La8 C94 157.6(3) . .
O53 La8 C94 96.3(3) . .
O59 La8 C94 75.0(3) . .
O61 La8 C94 87.3(4) . .
O56 La8 C94 26.5(3) . .
O58 La8 C94 127.6(3) . .
O57 La8 C94 26.2(3) . .
O60 La8 C94 88.7(3) . .
C92 La8 C94 100.6(4) . .
O119 La8 C88 102.0(4) . .
O52 La8 C88 75.2(4) . .
O53 La8 C88 94.4(4) . .
O59 La8 C88 161.8(4) . .
O61 La8 C88 25.2(4) . .
O56 La8 C88 83.1(4) . .
O58 La8 C88 144.6(4) . .
O57 La8 C88 89.4(4) . .
O60 La8 C88 27.3(3) . .
C92 La8 C88 170.4(4) . .
C94 La8 C88 86.9(4) . .
O70 La9 O66 76.6(3) . .
O70 La9 O68 118.3(3) . .
O66 La9 O68 71.2(2) . .
O70 La9 O63 147.7(3) . .
O66 La9 O63 135.0(3) . .
O68 La9 O63 75.9(3) . .
O70 La9 O56 77.9(3) . .
O66 La9 O56 92.1(3) . .
O68 La9 O56 151.5(3) . .
O63 La9 O56 103.2(3) . .
O70 La9 O11 73.7(3) . .
O66 La9 O11 111.2(3) . .
O68 La9 O11 71.3(3) . .
O63 La9 O11 85.4(3) . .
O56 La9 O11 137.2(3) . .
O70 La9 O53 137.2(3) . .
O66 La9 O53 75.0(3) . .
O68 La9 O53 81.3(2) . .
O63 La9 O53 70.3(3) . .
O56 La9 O53 72.0(3) . .
O11 La9 O53 147.1(3) . .
O70 La9 O10 74.8(3) . .
O66 La9 O10 151.0(3) . .
O68 La9 O10 127.6(3) . .
O63 La9 O10 74.0(3) . .
O56 La9 O10 77.5(3) . .
O11 La9 O10 64.6(3) . .
O53 La9 O10 125.3(3) . .
O70 La9 La1 92.04(19) . .
O66 La9 La1 86.26(19) . .
O68 La9 La1 36.06(18) . .
O63 La9 La1 84.8(2) . .
O56 La9 La1 169.93(19) . .
O11 La9 La1 36.17(19) . .
O53 La9 La1 117.03(17) . .
O10 La9 La1 99.19(19) . .
O70 La9 La10 98.1(2) . .
O66 La9 La10 36.86(18) . .
O68 La9 La10 34.41(17) . .
O63 La9 La10 106.3(2) . .
O56 La9 La10 126.06(19) . .
O11 La9 La10 89.56(19) . .
O53 La9 La10 76.92(18) . .
O10 La9 La10 154.11(19) . .
La1 La9 La10 55.63(2) . .
O70 La9 La8 110.30(18) . .
O66 La9 La8 83.76(19) . .
O68 La9 La8 116.57(18) . .
O63 La9 La8 84.34(19) . .
O56 La9 La8 36.50(19) . .
O11 La9 La8 164.96(19) . .
O53 La9 La8 35.53(17) . .
O10 La9 La8 101.92(19) . .
La1 La9 La8 152.53(2) . .
La10 La9 La8 103.88(2) . .
O70 La9 La19 163.46(19) . .
O66 La9 La19 105.21(18) . .
O68 La9 La19 77.20(18) . .
O63 La9 La19 36.56(19) . .
O56 La9 La19 85.57(19) . .
O11 La9 La19 119.41(18) . .
O53 La9 La19 33.81(18) . .
O10 La9 La19 100.96(19) . .
La1 La9 La19 104.46(2) . .
La10 La9 La19 92.24(3) . .
La8 La9 La19 54.34(2) . .
O64 La10 O68 88.8(3) . .
O64 La10 O79 149.7(3) . .
O68 La10 O79 71.6(2) . .
O64 La10 O73 77.4(3) . .
O68 La10 O73 82.2(3) . .
O79 La10 O73 120.8(3) . .
O64 La10 O66 75.0(3) . .
O68 La10 O66 68.8(2) . .
O79 La10 O66 76.4(2) . .
O73 La10 O66 139.9(3) . .
O64 La10 O78 136.1(3) . .
O68 La10 O78 134.2(3) . .
O79 La10 O78 69.6(3) . .
O73 La10 O78 97.5(3) . .
O66 La10 O78 122.6(3) . .
O64 La10 O77 84.2(3) . .
O68 La10 O77 160.9(3) . .
O79 La10 O77 121.2(3) . .
O73 La10 O77 78.9(3) . .
O66 La10 O77 125.8(3) . .
O78 La10 O77 52.4(3) . .
O64 La10 O67 86.1(3) . .
O68 La10 O67 121.2(3) . .
O79 La10 O67 84.7(3) . .
O73 La10 O67 151.2(3) . .
O66 La10 O67 53.4(3) . .
O78 La10 O67 78.3(3) . .
O77 La10 O67 76.1(3) . .
O64 La10 O74 126.3(3) . .
O68 La10 O74 69.3(2) . .
O79 La10 O74 69.0(2) . .
O73 La10 O74 52.1(3) . .
O66 La10 O74 131.9(2) . .
O78 La10 O74 74.7(3) . .
O77 La10 O74 100.8(3) . .
O67 La10 O74 147.3(3) . .
O64 La10 C98 82.0(3) . .
O68 La10 C98 95.0(3) . .
O79 La10 C98 77.0(3) . .
O73 La10 C98 159.3(3) . .
O66 La10 C98 27.3(3) . .
O78 La10 C98 99.1(3) . .
O77 La10 C98 101.5(4) . .
O67 La10 C98 26.3(3) . .
O74 La10 C98 145.5(3) . .
O64 La10 C102 109.2(3) . .
O68 La10 C102 158.5(3) . .
O79 La10 C102 95.6(3) . .
O73 La10 C102 90.2(3) . .
O66 La10 C102 126.2(3) . .
O78 La10 C102 27.0(3) . .
O77 La10 C102 25.6(3) . .
O67 La10 C102 73.0(3) . .
O74 La10 C102 90.1(3) . .
C98 La10 C102 98.9(4) . .
O64 La10 C100 102.4(4) . .
O68 La10 C100 74.8(3) . .
O79 La10 C100 94.8(3) . .
O73 La10 C100 26.2(3) . .
O66 La10 C100 143.5(3) . .
O78 La10 C100 85.1(3) . .
O77 La10 C100 89.3(4) . .
O67 La10 C100 162.4(4) . .
O74 La10 C100 25.9(3) . .
C98 La10 C100 168.7(4) . .
C102 La10 C100 89.6(4) . .
O87 La11 O97 90.1(3) . .
O87 La11 O105 148.2(3) . .
O97 La11 O105 71.1(2) . .
O87 La11 O100 135.6(3) . .
O97 La11 O100 134.1(3) . .
O105 La11 O100 68.9(2) . .
O87 La11 O94 83.4(3) . .
O97 La11 O94 121.4(3) . .
O105 La11 O94 84.9(3) . .
O100 La11 O94 76.5(3) . .
O87 La11 O95 74.8(3) . .
O97 La11 O95 69.0(2) . .
O105 La11 O95 74.6(2) . .
O100 La11 O95 119.2(2) . .
O94 La11 O95 53.0(2) . .
O87 La11 O96 85.3(3) . .
O97 La11 O96 159.5(3) . .
O105 La11 O96 120.8(2) . .
O100 La11 O96 52.1(2) . .
O94 La11 O96 78.0(3) . .
O95 La11 O96 128.3(3) . .
O87 La11 O98 80.2(3) . .
O97 La11 O98 81.2(3) . .
O105 La11 O98 120.2(3) . .
O100 La11 O98 100.0(3) . .
O94 La11 O98 152.1(3) . .
O95 La11 O98 140.6(3) . .
O96 La11 O98 78.3(3) . .
O87 La11 O99 130.4(3) . .
O97 La11 O99 70.5(3) . .
O105 La11 O99 68.1(2) . .
O100 La11 O99 74.3(3) . .
O94 La11 O99 145.8(2) . .
O95 La11 O99 131.6(2) . .
O96 La11 O99 97.5(3) . .
O98 La11 O99 52.7(3) . .
O87 La11 C122 79.7(3) . .
O97 La11 C122 95.0(3) . .
O105 La11 C122 76.8(3) . .
O100 La11 C122 97.1(3) . .
O94 La11 C122 26.5(3) . .
O95 La11 C122 26.6(3) . .
O96 La11 C122 103.8(3) . .
O98 La11 C122 159.5(3) . .
O99 La11 C122 144.7(3) . .
O87 La11 C126 110.0(3) . .
O97 La11 C126 157.3(3) . .
O105 La11 C126 94.6(3) . .
O100 La11 C126 26.1(3) . .
O94 La11 C126 73.0(3) . .
O95 La11 C126 125.3(3) . .
O96 La11 C126 26.2(3) . .
O98 La11 C126 91.6(3) . .
O99 La11 C126 88.0(3) . .
C122 La11 C126 98.8(4) . .
O87 La11 C124 104.9(3) . .
O97 La11 C124 74.7(3) . .
O105 La11 C124 94.9(3) . .
O100 La11 C124 86.9(3) . .
O94 La11 C124 162.4(3) . .
O95 La11 C124 143.8(3) . .
O96 La11 C124 87.1(3) . .
O98 La11 C124 25.7(3) . .
O99 La11 C124 27.0(3) . .
C122 La11 C124 168.6(4) . .
C126 La11 C124 89.5(4) . .
O114 La12 O106 116.8(3) . .
O114 La12 O112 74.5(3) . .
O106 La12 O112 72.6(3) . .
O114 La12 O107 148.9(3) . .
O106 La12 O107 75.7(3) . .
O112 La12 O107 135.7(3) . .
O114 La12 O100 80.2(3) . .
O106 La12 O100 153.2(3) . .
O112 La12 O100 94.3(3) . .
O107 La12 O100 100.7(3) . .
O114 La12 O105 136.0(3) . .
O106 La12 O105 83.5(2) . .
O112 La12 O105 75.8(3) . .
O107 La12 O105 70.6(3) . .
O100 La12 O105 70.5(2) . .
O114 La12 O20 73.1(3) . .
O106 La12 O20 70.6(3) . .
O112 La12 O20 110.7(3) . .
O107 La12 O20 86.2(3) . .
O100 La12 O20 136.2(3) . .
O105 La12 O20 148.9(2) . .
O114 La12 O19 77.2(3) . .
O106 La12 O19 126.0(3) . .
O112 La12 O19 151.3(3) . .
O107 La12 O19 73.0(3) . .
O100 La12 O19 76.1(3) . .
O105 La12 O19 123.8(2) . .
O20 La12 O19 64.6(2) . .
O114 La12 La21 96.73(18) . .
O106 La12 La21 34.82(19) . .
O112 La12 La21 37.79(18) . .
O107 La12 La21 106.10(19) . .
O100 La12 La21 128.64(19) . .
O105 La12 La21 78.26(17) . .
O20 La12 La21 89.13(18) . .
O19 La12 La21 153.73(17) . .
O114 La12 La14 90.68(18) . .
O106 La12 La14 35.91(18) . .
O112 La12 La14 86.74(18) . .
O107 La12 La14 85.22(18) . .
O100 La12 La14 170.16(18) . .
O105 La12 La14 119.19(17) . .
O20 La12 La14 35.64(18) . .
O19 La12 La14 98.43(17) . .
La21 La12 La14 55.74(2) . .
O114 La12 La11 110.97(19) . .
O106 La12 La11 118.55(18) . .
O112 La12 La11 85.93(18) . .
O107 La12 La11 82.94(18) . .
O100 La12 La11 35.48(18) . .
O105 La12 La11 35.08(17) . .
O20 La12 La11 163.21(18) . .
O19 La12 La11 99.83(17) . .
La21 La12 La11 106.15(3) . .
La14 La12 La11 154.25(2) . .
O114 La12 La18 164.27(18) . .
O106 La12 La18 77.10(18) . .
O112 La12 La18 104.88(18) . .
O107 La12 La18 37.28(18) . .
O100 La12 La18 84.20(18) . .
O105 La12 La18 33.37(17) . .
O20 La12 La18 120.59(18) . .
O19 La12 La18 101.02(17) . .
La21 La12 La18 91.44(3) . .
La14 La12 La18 105.02(2) . .
La11 La12 La18 53.602(19) . .
O39 La13 O37 76.6(3) . .
O39 La13 O22 145.6(3) . .
O37 La13 O22 136.9(3) . .
O39 La13 O24 77.7(3) . .
O37 La13 O24 91.0(3) . .
O22 La13 O24 104.3(3) . .
O39 La13 O28 118.9(3) . .
O37 La13 O28 72.2(3) . .
O22 La13 O28 75.7(3) . .
O24 La13 O28 151.1(3) . .
O39 La13 O2 73.3(3) . .
O37 La13 O2 111.1(2) . .
O22 La13 O2 84.2(3) . .
O24 La13 O2 137.6(3) . .
O28 La13 O2 71.3(2) . .
O39 La13 O23 138.5(3) . .
O37 La13 O23 75.9(2) . .
O22 La13 O23 71.1(3) . .
O24 La13 O23 72.3(3) . .
O28 La13 O23 80.7(2) . .
O2 La13 O23 146.5(3) . .
O39 La13 O1 72.6(3) . .
O37 La13 O1 148.6(3) . .
O22 La13 O1 74.5(3) . .
O24 La13 O1 76.8(3) . .
O28 La13 O1 129.0(3) . .
O2 La13 O1 65.4(2) . .
O23 La13 O1 125.5(3) . .
O39 La13 La5 98.7(2) . .
O37 La13 La5 37.46(18) . .
O22 La13 La5 107.0(2) . .
O24 La13 La5 125.4(2) . .
O28 La13 La5 34.77(18) . .
O2 La13 La5 89.46(18) . .
O23 La13 La5 77.03(17) . .
O1 La13 La5 154.68(18) . .
O39 La13 La4 93.19(19) . .
O37 La13 La4 86.62(17) . .
O22 La13 La4 83.3(2) . .
O24 La13 La4 170.9(2) . .
O28 La13 La4 35.16(17) . .
O2 La13 La4 36.93(18) . .
O23 La13 La4 115.50(18) . .
O1 La13 La4 100.77(18) . .
La5 La13 La4 55.221(14) . .
O39 La13 La21 111.26(19) . 3_565
O37 La13 La21 84.91(17) . 3_565
O22 La13 La21 84.38(19) . 3_565
O24 La13 La21 36.7(2) . 3_565
O28 La13 La21 116.44(17) . 3_565
O2 La13 La21 163.95(18) . 3_565
O23 La13 La21 35.86(18) . 3_565
O1 La13 La21 100.68(17) . 3_565
La5 La13 La21 104.620(19) . 3_565
La4 La13 La21 151.36(2) . 3_565
O39 La13 La14 163.92(19) . 3_565
O37 La13 La14 107.12(17) . 3_565
O22 La13 La14 36.57(18) . 3_565
O24 La13 La14 86.5(2) . 3_565
O28 La13 La14 76.72(18) . 3_565
O2 La13 La14 118.12(19) . 3_565
O23 La13 La14 34.61(18) . 3_565
O1 La13 La14 101.0(2) . 3_565
La5 La13 La14 92.95(2) . 3_565
La4 La13 La14 102.59(3) . 3_565
La21 La13 La14 54.56(3) 3_565 3_565
O20 La14 O21 71.4(3) . .
O20 La14 O110 138.7(3) . .
O21 La14 O110 136.3(3) . .
O20 La14 O106 69.8(2) . .
O21 La14 O106 135.8(3) . .
O110 La14 O106 70.8(3) . .
O20 La14 O23 85.7(3) . 3_565
O21 La14 O23 85.9(3) . 3_565
O110 La14 O23 70.4(3) . 3_565
O106 La14 O23 71.1(2) . 3_565
O20 La14 O116 101.2(3) . .
O21 La14 O116 133.8(4) . .
O110 La14 O116 79.5(4) . .
O106 La14 O116 74.6(3) . .
O23 La14 O116 140.0(3) 3_565 .
O20 La14 O115 142.1(3) . .
O21 La14 O115 81.8(3) . .
O110 La14 O115 78.9(3) . .
O106 La14 O115 142.3(3) . .
O23 La14 O115 119.2(3) 3_565 .
O116 La14 O115 78.3(3) . .
O20 La14 O117 74.5(3) . .
O21 La14 O117 75.0(4) . .
O110 La14 O117 133.7(4) . .
O106 La14 O117 113.1(4) . .
O23 La14 O117 156.0(4) 3_565 .
O116 La14 O117 59.4(4) . .
O115 La14 O117 73.0(4) . .
O20 La14 O22 134.1(3) . 3_565
O21 La14 O22 70.2(3) . 3_565
O110 La14 O22 66.9(3) . 3_565
O106 La14 O22 128.1(3) . 3_565
O23 La14 O22 67.4(3) 3_565 3_565
O116 La14 O22 123.6(3) . 3_565
O115 La14 O22 52.4(3) . 3_565
O117 La14 O22 117.6(4) . 3_565
O20 La14 C136 88.5(5) . .
O21 La14 C136 105.6(6) . .
O110 La14 C136 105.8(6) . .
O106 La14 C136 93.7(5) . .
O23 La14 C136 164.8(5) 3_565 .
O116 La14 C136 28.5(5) . .
O115 La14 C136 73.2(4) . .
O117 La14 C136 30.9(5) . .
O22 La14 C136 125.5(4) 3_565 .
O20 La14 C138 145.7(3) . .
O21 La14 C138 74.3(3) . .
O110 La14 C138 71.1(3) . .
O106 La14 C138 141.8(3) . .
O23 La14 C138 93.2(3) 3_565 .
O116 La14 C138 101.4(3) . .
O115 La14 C138 26.3(3) . .
O117 La14 C138 95.5(4) . .
O22 La14 C138 26.0(3) 3_565 .
C136 La14 C138 99.5(5) . .
O20 La14 La21 95.72(18) . .
O21 La14 La21 127.1(2) . .
O110 La14 La21 44.5(2) . .
O106 La14 La21 40.16(18) . .
O23 La14 La21 41.34(18) 3_565 .
O116 La14 La21 98.6(3) . .
O115 La14 La21 122.0(2) . .
O117 La14 La21 152.3(3) . .
O22 La14 La21 88.0(2) 3_565 .
C136 La14 La21 125.7(5) . .
C138 La14 La21 106.0(3) . .
O6 La15 O49 135.8(3) . .
O6 La15 O43 134.9(3) . .
O49 La15 O43 75.4(4) . .
O6 La15 O45 88.5(3) . .
O49 La15 O45 70.4(3) . .
O43 La15 O45 136.6(3) . .
O6 La15 O5 71.7(3) . .
O49 La15 O5 138.6(3) . .
O43 La15 O5 107.4(3) . .
O45 La15 O5 82.8(3) . .
O6 La15 O40 137.1(3) . .
O49 La15 O40 72.4(3) . .
O43 La15 O40 74.4(3) . .
O45 La15 O40 70.3(2) . .
O5 La15 O40 69.0(2) . .
O6 La15 O44 82.6(3) . .
O49 La15 O44 128.1(3) . .
O43 La15 O44 54.8(4) . .
O45 La15 O44 159.2(3) . .
O5 La15 O44 76.5(3) . .
O40 La15 O44 104.0(3) . .
O6 La15 O46 78.0(3) . .
O49 La15 O46 80.1(3) . .
O43 La15 O46 77.9(3) . .
O45 La15 O46 120.4(3) . .
O5 La15 O46 141.3(3) . .
O40 La15 O46 144.9(3) . .
O44 La15 O46 76.2(3) . .
O6 La15 O47 69.0(3) . .
O49 La15 O47 67.2(3) . .
O43 La15 O47 120.7(3) . .
O45 La15 O47 68.6(3) . .
O5 La15 O47 131.2(3) . .
O40 La15 O47 129.6(3) . .
O44 La15 O47 124.4(3) . .
O46 La15 O47 52.2(3) . .
O6 La15 C72 109.7(5) . .
O49 La15 C72 101.4(5) . .
O43 La15 C72 26.8(4) . .
O45 La15 C72 158.5(4) . .
O5 La15 C72 92.1(4) . .
O40 La15 C72 88.4(4) . .
O44 La15 C72 28.1(4) . .
O46 La15 C72 75.9(4) . .
O47 La15 C72 127.7(4) . .
O6 La15 C82 71.2(4) . .
O49 La15 C82 72.7(4) . .
O43 La15 C82 99.4(4) . .
O45 La15 C82 95.3(3) . .
O5 La15 C82 142.8(4) . .
O40 La15 C82 144.9(4) . .
O44 La15 C82 99.6(4) . .
O46 La15 C82 25.4(3) . .
O47 La15 C82 26.8(3) . .
C72 La15 C82 101.2(4) . .
O6 La15 La20 130.1(2) . .
O49 La15 La20 44.5(2) . .
O43 La15 La20 95.0(3) . .
O45 La15 La20 41.59(18) . .
O5 La15 La20 94.82(18) . .
O40 La15 La20 40.41(19) . .
O44 La15 La20 142.2(3) . .
O46 La15 La20 123.4(3) . .
O47 La15 La20 89.2(2) . .
C72 La15 La20 118.8(4) . .
C82 La15 La20 108.3(3) . .
O65 La16 O58 77.0(3) . .
O65 La16 O47 146.4(3) . .
O58 La16 O47 135.9(3) . .
O65 La16 O51 77.8(3) . .
O58 La16 O51 93.1(3) . .
O47 La16 O51 102.2(3) . .
O65 La16 O52 119.7(3) . .
O58 La16 O52 71.7(3) . .
O47 La16 O52 75.8(3) . .
O51 La16 O52 151.6(3) . .
O65 La16 O8 74.1(3) . .
O58 La16 O8 109.9(3) . .
O47 La16 O8 85.5(3) . .
O51 La16 O8 138.1(3) . .
O52 La16 O8 70.3(3) . .
O65 La16 O45 136.6(3) . .
O58 La16 O45 75.1(3) . .
O47 La16 O45 71.4(2) . .
O51 La16 O45 71.2(3) . .
O52 La16 O45 81.6(3) . .
O8 La16 O45 147.3(3) . .
O65 La16 O7 74.5(3) . .
O58 La16 O7 151.2(3) . .
O47 La16 O7 72.8(3) . .
O51 La16 O7 77.8(3) . .
O52 La16 O7 126.6(3) . .
O8 La16 O7 65.1(3) . .
O45 La16 O7 125.3(3) . .
O65 La16 La8 99.4(2) . .
O58 La16 La8 36.90(18) . .
O47 La16 La8 106.6(2) . .
O51 La16 La8 126.60(19) . .
O52 La16 La8 34.83(17) . .
O8 La16 La8 88.6(2) . .
O45 La16 La8 76.85(18) . .
O7 La16 La8 153.8(2) . .
O65 La16 La19 92.8(2) . .
O58 La16 La19 85.32(18) . .
O47 La16 La19 85.3(2) . .
O51 La16 La19 170.6(2) . .
O52 La16 La19 35.72(19) . .
O8 La16 La19 35.7(2) . .
O45 La16 La19 117.19(18) . .
O7 La16 La19 99.3(2) . .
La8 La16 La19 55.05(2) . .
O65 La16 La20 110.1(2) . .
O58 La16 La20 84.98(18) . .
O47 La16 La20 83.84(19) . .
O51 La16 La20 36.14(19) . .
O52 La16 La20 116.67(19) . .
O8 La16 La20 165.13(19) . .
O45 La16 La20 35.14(18) . .
O7 La16 La20 101.7(2) . .
La8 La16 La20 104.35(2) . .
La19 La16 La20 152.33(3) . .
O65 La16 La15 162.6(2) . .
O58 La16 La15 106.00(19) . .
O47 La16 La15 36.71(19) . .
O51 La16 La15 84.9(2) . .
O52 La16 La15 76.91(19) . .
O8 La16 La15 119.3(2) . .
O45 La16 La15 34.66(16) . .
O7 La16 La15 100.3(2) . .
La8 La16 La15 92.29(2) . .
La19 La16 La15 104.48(3) . .
La20 La16 La15 54.02(2) . .
O91 La17 O15 90.0(3) . .
O91 La17 O81 68.5(3) . .
O15 La17 O81 136.0(3) . .
O91 La17 O83 136.7(3) . .
O15 La17 O83 133.3(3) . .
O81 La17 O83 76.1(3) . .
O91 La17 O90 71.5(2) . .
O15 La17 O90 138.0(3) . .
O81 La17 O90 72.2(3) . .
O83 La17 O90 74.6(3) . .
O91 La17 O14 83.1(2) . .
O15 La17 O14 71.2(3) . .
O81 La17 O14 137.9(3) . .
O83 La17 O14 109.3(3) . .
O90 La17 O14 69.5(3) . .
O91 La17 O82 158.4(3) . .
O15 La17 O82 82.6(3) . .
O81 La17 O82 129.6(3) . .
O83 La17 O82 54.5(3) . .
O90 La17 O82 100.9(3) . .
O14 La17 O82 75.3(3) . .
O91 La17 O93 120.8(3) . .
O15 La17 O93 78.4(3) . .
O81 La17 O93 80.8(3) . .
O83 La17 O93 75.4(3) . .
O90 La17 O93 143.5(3) . .
O14 La17 O93 141.3(3) . .
O82 La17 O93 77.7(3) . .
O91 La17 O92 69.3(2) . .
O15 La17 O92 69.3(3) . .
O81 La17 O92 67.3(3) . .
O83 La17 O92 118.7(3) . .
O90 La17 O92 131.3(3) . .
O14 La17 O92 131.0(3) . .
O82 La17 O92 125.6(3) . .
O93 La17 O92 52.2(3) . .
O91 La17 C114 156.3(3) . .
O15 La17 C114 110.2(3) . .
O81 La17 C114 102.1(3) . .
O83 La17 C114 26.2(3) . .
O90 La17 C114 85.1(3) . .
O14 La17 C114 91.6(3) . .
O82 La17 C114 28.5(3) . .
O93 La17 C114 76.9(3) . .
O92 La17 C114 128.7(3) . .
O91 La17 C120 95.4(3) . .
O15 La17 C120 71.6(3) . .
O81 La17 C120 72.9(3) . .
O83 La17 C120 97.3(3) . .
O90 La17 C120 145.1(3) . .
O14 La17 C120 142.7(3) . .
O82 La17 C120 101.4(3) . .
O93 La17 C120 25.8(3) . .
O92 La17 C120 26.4(3) . .
C114 La17 C120 102.5(4) . .
O91 La17 La3 42.43(18) . .
O15 La17 La3 132.3(2) . .
O81 La17 La3 43.09(19) . .
O83 La17 La3 94.4(2) . .
O90 La17 La3 40.50(17) . .
O14 La17 La3 95.09(19) . .
O82 La17 La3 139.3(2) . .
O93 La17 La3 123.3(2) . .
O92 La17 La3 90.77(19) . .
C114 La17 La3 115.8(3) . .
C120 La17 La3 108.8(3) . .
O18 La18 O17 72.2(3) . .
O18 La18 O99 136.9(3) . .
O17 La18 O99 139.0(3) . .
O18 La18 O105 88.3(3) . .
O17 La18 O105 85.5(2) . .
O99 La18 O105 70.7(3) . .
O18 La18 O97 136.7(3) . .
O17 La18 O97 68.7(2) . .
O99 La18 O97 72.1(2) . .
O105 La18 O97 70.9(2) . .
O18 La18 O101 132.1(3) . .
O17 La18 O101 102.4(3) . .
O99 La18 O101 78.3(3) . .
O105 La18 O101 139.5(3) . .
O97 La18 O101 75.2(3) . .
O18 La18 O108 79.2(3) . .
O17 La18 O108 141.7(3) . .
O99 La18 O108 79.1(3) . .
O105 La18 O108 118.9(2) . .
O97 La18 O108 144.1(3) . .
O101 La18 O108 78.6(3) . .
O18 La18 O102 79.3(3) . .
O17 La18 O102 76.1(3) . .
O99 La18 O102 128.5(3) . .
O105 La18 O102 160.2(3) . .
O97 La18 O102 108.0(3) . .
O101 La18 O102 53.9(3) . .
O108 La18 O102 74.1(3) . .
O18 La18 O107 70.0(3) . .
O17 La18 O107 133.5(2) . .
O99 La18 O107 67.2(2) . .
O105 La18 O107 67.6(2) . .
O97 La18 O107 129.0(2) . .
O101 La18 O107 122.9(3) . .
O108 La18 O107 51.9(2) . .
O102 La18 O107 121.1(3) . .
O18 La18 C132 105.6(4) . .
O17 La18 C132 91.1(4) . .
O99 La18 C132 102.6(4) . .
O105 La18 C132 163.9(4) . .
O97 La18 C132 93.2(4) . .
O101 La18 C132 26.8(4) . .
O108 La18 C132 72.5(4) . .
O102 La18 C132 27.3(4) . .
O107 La18 C132 124.3(4) . .
O18 La18 C134 72.2(3) . .
O17 La18 C134 144.4(3) . .
O99 La18 C134 71.8(3) . .
O105 La18 C134 93.2(3) . .
O97 La18 C134 143.7(3) . .
O101 La18 C134 101.5(3) . .
O108 La18 C134 26.1(3) . .
O102 La18 C134 97.7(4) . .
O107 La18 C134 25.8(3) . .
C132 La18 C134 98.6(5) . .
O18 La18 La11 130.3(2) . .
O17 La18 La11 96.07(18) . .
O99 La18 La11 44.27(19) . .
O105 La18 La11 42.10(16) . .
O97 La18 La11 40.51(16) . .
O101 La18 La11 97.4(2) . .
O108 La18 La11 121.95(19) . .
O102 La18 La11 146.1(2) . .
O107 La18 La11 88.49(18) . .
C132 La18 La11 123.1(4) . .
C134 La18 La11 106.6(3) . .
O60 La19 O9 137.0(3) . .
O60 La19 O53 70.0(3) . .
O9 La19 O53 87.1(3) . .
O60 La19 O55 77.3(3) . .
O9 La19 O55 134.4(3) . .
O53 La19 O55 138.5(3) . .
O60 La19 O8 138.8(3) . .
O9 La19 O8 70.8(3) . .
O53 La19 O8 85.6(3) . .
O55 La19 O8 103.8(3) . .
O60 La19 O52 71.3(3) . .
O9 La19 O52 135.9(3) . .
O53 La19 O52 71.4(2) . .
O55 La19 O52 74.4(3) . .
O8 La19 O52 69.6(3) . .
O60 La19 O54 128.9(4) . .
O9 La19 O54 81.0(4) . .
O53 La19 O54 160.1(4) . .
O55 La19 O54 54.6(4) . .
O8 La19 O54 75.5(3) . .
O52 La19 O54 106.7(3) . .
O60 La19 O62 80.5(3) . .
O9 La19 O62 80.0(3) . .
O53 La19 O62 119.2(3) . .
O55 La19 O62 78.3(3) . .
O8 La19 O62 140.7(3) . .
O52 La19 O62 144.2(3) . .
O54 La19 O62 74.5(4) . .
O60 La19 O63 67.6(3) . .
O9 La19 O63 70.1(3) . .
O53 La19 O63 67.9(2) . .
O55 La19 O63 121.8(3) . .
O8 La19 O63 133.2(3) . .
O52 La19 O63 129.5(2) . .
O54 La19 O63 121.7(3) . .
O62 La19 O63 51.8(3) . .
O60 La19 C86 101.8(5) . .
O9 La19 C86 108.7(5) . .
O53 La19 C86 162.0(5) . .
O55 La19 C86 26.2(5) . .
O8 La19 C86 91.3(5) . .
O52 La19 C86 90.9(5) . .
O54 La19 C86 28.5(5) . .
O62 La19 C86 73.5(4) . .
O63 La19 C86 125.0(4) . .
O60 La19 C96 72.7(3) . .
O9 La19 C96 73.4(4) . .
O53 La19 C96 94.5(3) . .
O55 La19 C96 99.7(4) . .
O8 La19 C96 144.1(3) . .
O52 La19 C96 144.0(3) . .
O54 La19 C96 97.3(4) . .
O62 La19 C96 25.0(3) . .
O63 La19 C96 26.8(3) . .
C86 La19 C96 98.4(5) . .
O60 La19 La8 44.4(2) . .
O9 La19 La8 128.1(2) . .
O53 La19 La8 41.21(17) . .
O55 La19 La8 97.3(3) . .
O8 La19 La8 95.67(19) . .
O52 La19 La8 40.68(17) . .
O54 La19 La8 145.6(3) . .
O62 La19 La8 123.3(2) . .
O63 La19 La8 88.83(18) . .
C86 La19 La8 121.9(5) . .
C96 La19 La8 107.8(3) . .
O38 La20 O40 86.4(3) . .
O38 La20 O45 147.6(3) . .
O40 La20 O45 71.5(3) . .
O38 La20 O42 86.0(3) . .
O40 La20 O42 121.3(3) . .
O45 La20 O42 85.7(3) . .
O38 La20 O41 73.6(3) . .
O40 La20 O41 69.0(3) . .
O45 La20 O41 76.4(2) . .
O42 La20 O41 53.1(3) . .
O38 La20 O51 138.8(3) . .
O40 La20 O51 133.8(3) . .
O45 La20 O51 69.7(3) . .
O42 La20 O51 79.6(3) . .
O41 La20 O51 123.0(3) . .
O38 La20 O50 86.5(3) . .
O40 La20 O50 160.3(3) . .
O45 La20 O50 121.7(3) . .
O42 La20 O50 76.5(3) . .
O41 La20 O50 126.1(3) . .
O51 La20 O50 52.7(3) . .
O38 La20 O48 77.9(3) . .
O40 La20 O48 82.4(3) . .
O45 La20 O48 120.5(3) . .
O42 La20 O48 150.7(3) . .
O41 La20 O48 140.4(3) . .
O51 La20 O48 96.5(3) . .
O50 La20 O48 78.1(3) . .
O38 La20 O49 127.2(3) . .
O40 La20 O49 71.0(3) . .
O45 La20 O49 68.2(3) . .
O42 La20 O49 146.5(3) . .
O41 La20 O49 132.9(3) . .
O51 La20 O49 72.1(3) . .
O50 La20 O49 99.1(3) . .
O48 La20 O49 52.8(3) . .
O38 La20 C84 112.0(4) . .
O40 La20 C84 157.2(4) . .
O45 La20 C84 95.9(4) . .
O42 La20 C84 75.0(4) . .
O41 La20 C84 127.7(4) . .
O51 La20 C84 26.9(3) . .
O50 La20 C84 25.9(4) . .
O48 La20 C84 88.4(4) . .
O49 La20 C84 86.9(4) . .
O38 La20 C78 79.8(3) . .
O40 La20 C78 95.6(3) . .
O45 La20 C78 79.1(3) . .
O42 La20 C78 25.9(3) . .
O41 La20 C78 27.2(3) . .
O51 La20 C78 100.6(3) . .
O50 La20 C78 101.3(4) . .
O48 La20 C78 157.8(3) . .
O49 La20 C78 147.1(3) . .
C84 La20 C78 100.6(4) . .
O38 La20 C76 102.8(4) . .
O40 La20 C76 76.1(3) . .
O45 La20 C76 94.7(4) . .
O42 La20 C76 161.4(4) . .
O41 La20 C76 145.0(4) . .
O51 La20 C76 83.1(4) . .
O50 La20 C76 87.6(4) . .
O48 La20 C76 26.2(3) . .
O49 La20 C76 26.6(3) . .
C84 La20 C76 86.5(4) . .
C78 La20 C76 170.9(4) . .
O104 La21 O106 88.2(3) . .
O104 La21 O23 149.5(3) . 3_565
O106 La21 O23 72.4(2) . 3_565
O104 La21 O113 87.0(3) . .
O106 La21 O113 121.0(3) . .
O23 La21 O113 83.6(3) 3_565 .
O104 La21 O24 135.7(3) . 3_565
O106 La21 O24 135.0(3) . 3_565
O23 La21 O24 70.4(3) 3_565 3_565
O113 La21 O24 78.8(3) . 3_565
O104 La21 O112 74.7(3) . .
O106 La21 O112 69.6(2) . .
O23 La21 O112 76.6(2) 3_565 .
O113 La21 O112 52.5(3) . .
O24 La21 O112 123.3(3) 3_565 .
O104 La21 O111 82.5(3) . .
O106 La21 O111 161.0(3) . .
O23 La21 O111 122.3(3) 3_565 .
O113 La21 O111 75.1(4) . .
O24 La21 O111 53.3(3) 3_565 .
O112 La21 O111 122.9(3) . .
O104 La21 O109 76.9(3) . .
O106 La21 O109 81.5(3) . .
O23 La21 O109 121.3(3) 3_565 .
O113 La21 O109 152.2(3) . .
O24 La21 O109 97.0(3) 3_565 .
O112 La21 O109 139.7(3) . .
O111 La21 O109 80.3(4) . .
O104 La21 O110 126.8(3) . .
O106 La21 O110 69.4(3) . .
O23 La21 O110 68.5(3) 3_565 .
O113 La21 O110 146.1(3) . .
O24 La21 O110 74.0(3) 3_565 .
O112 La21 O110 132.2(3) . .
O111 La21 O110 103.3(3) . .
O109 La21 O110 53.1(3) . .
O104 La21 C64 108.7(4) . 3_565
O106 La21 C64 159.4(4) . 3_565
O23 La21 C64 96.1(3) 3_565 3_565
O113 La21 C64 73.0(4) . 3_565
O24 La21 C64 27.0(3) 3_565 3_565
O112 La21 C64 125.3(4) . 3_565
O111 La21 C64 26.5(3) . 3_565
O109 La21 C64 90.7(4) . 3_565
O110 La21 C64 90.6(4) . 3_565
O104 La21 C140 102.1(4) . .
O106 La21 C140 73.3(4) . .
O23 La21 C140 94.7(4) 3_565 .
O113 La21 C140 163.7(4) . .
O24 La21 C140 85.4(4) 3_565 .
O112 La21 C140 142.8(4) . .
O111 La21 C140 92.5(4) . .
O109 La21 C140 26.7(3) . .
O110 La21 C140 26.3(3) . .
C64 La21 C140 91.2(4) 3_565 .
O104 La21 C130 82.0(3) . .
O106 La21 C130 96.1(3) . .
O23 La21 C130 77.2(3) 3_565 .
O113 La21 C130 25.1(3) . .
O24 La21 C130 99.4(3) 3_565 .
O112 La21 C130 27.5(3) . .
O111 La21 C130 98.9(4) . .
O109 La21 C130 158.8(3) . .
O110 La21 C130 145.4(3) . .
C64 La21 C130 97.9(4) 3_565 .
C140 La21 C130 168.4(4) . .
C2 O1 C1 116.4(10) . .
C2 O1 La13 114.6(8) . .
C1 O1 La13 125.3(7) . .
C7 O2 La13 117.1(7) . .
C7 O2 La4 135.0(7) . .
La13 O2 La4 107.2(3) . .
C8 O3 La4 137.9(9) . .
C10 O4 C9 117.3(10) . .
C10 O4 La6 115.0(7) . .
C9 O4 La6 126.7(7) . .
C15 O5 La15 133.5(7) . .
C15 O5 La6 117.8(7) . .
La15 O5 La6 108.3(3) . .
C16 O6 La15 135.3(9) . .
C18 O7 C17 116.4(12) . .
C18 O7 La16 116.3(8) . .
C17 O7 La16 126.7(9) . .
C23 O8 La19 133.5(8) . .
C23 O8 La16 117.9(8) . .
La19 O8 La16 108.5(3) . .
C24 O9 La19 135.2(10) . .
C26 O10 C25 116.3(10) . .
C26 O10 La9 117.1(7) . .
C25 O10 La9 126.2(7) . .
C31 O11 La9 119.4(7) . .
C31 O11 La1 132.5(7) . .
La9 O11 La1 107.9(3) . .
C32 O12 La1 136.0(8) . .
C34 O13 C33 120.0(10) . .
C34 O13 La2 116.5(7) . .
C33 O13 La2 123.1(7) . .
C39 O14 La17 133.0(7) . .
C39 O14 La2 118.8(7) . .
La17 O14 La2 107.8(3) . .
C40 O15 La17 130.5(9) . .
C42 O16 C41 115.5(9) . .
C42 O16 La7 118.6(7) . .
C41 O16 La7 123.5(7) . .
C47 O17 La18 131.2(7) . .
C47 O17 La7 119.7(7) . .
La18 O17 La7 109.1(3) . .
C48 O18 La18 134.4(8) . .
C50 O19 C49 116.1(9) . .
C50 O19 La12 116.0(7) . .
C49 O19 La12 127.7(7) . .
C55 O20 La14 133.9(7) . .
C55 O20 La12 117.8(7) . .
La14 O20 La12 108.1(3) . .
C56 O21 La14 132.8(8) . .
C138 O22 La13 155.9(8) 3_565 .
C138 O22 La14 91.5(7) 3_565 3_565
La13 O22 La14 110.2(3) . 3_565
La13 O23 La21 108.3(3) . 3_565
La13 O23 La14 111.2(3) . 3_565
La21 O23 La14 96.8(3) 3_565 3_565
La13 O23 H23A 113.1 . .
La21 O23 H23A 113.1 3_565 .
La14 O23 H23A 113.1 3_565 .
C64 O24 La13 154.3(9) . .
C64 O24 La21 93.5(8) . 3_565
La13 O24 La21 108.6(3) . 3_565
C58 O25 La5 138.8(8) . .
C62 O26 La4 90.9(9) . .
C62 O27 La4 90.8(9) . .
La5 O28 La13 110.3(3) . .
La5 O28 La4 98.6(3) . .
La13 O28 La4 110.4(3) . .
La5 O28 H28B 112.2 . .
La13 O28 H28B 112.2 . .
La4 O28 H28B 112.2 . .
C80 O29 La4 95.4(7) . .
C80 O30 La6 156.4(8) . .
C80 O30 La4 93.2(7) . .
La6 O30 La4 108.5(3) . .
La4 O31 La6 110.5(3) . .
La4 O31 La5 96.1(2) . .
La6 O31 La5 109.2(3) . .
La4 O31 H31A 113.3 . .
La6 O31 H31A 113.3 . .
La5 O31 H31A 113.3 . .
C60 O32 La4 132.4(7) . .
C60 O32 La5 93.3(7) . .
La4 O32 La5 94.7(3) . .
C60 O33 La5 95.8(7) . .
C66 O34 La6 155.4(7) . .
C66 O34 La5 94.2(6) . .
La6 O34 La5 109.5(3) . .
C66 O35 La5 92.6(7) . .
C68 O36 La5 94.8(7) . .
C68 O37 La13 154.5(7) . .
C68 O37 La5 92.4(7) . .
La13 O37 La5 107.4(3) . .
C70 O38 La20 139.8(7) . .
C70 O39 La13 150.6(8) . .
La6 O40 La20 111.5(3) . .
La6 O40 La15 111.0(3) . .
La20 O40 La15 97.9(3) . .
La6 O40 H40B 111.9 . .
La20 O40 H40B 111.9 . .
La15 O40 H40B 111.9 . .
C78 O41 La6 154.0(8) . .
C78 O41 La20 93.8(7) . .
La6 O41 La20 108.0(3) . .
C78 O42 La20 96.8(8) . .
C72 O43 La15 93.7(9) . .
C72 O44 La15 90.7(9) . .
La20 O45 La15 96.6(3) . .
La20 O45 La16 109.3(3) . .
La15 O45 La16 110.4(3) . .
La20 O45 H45B 113.1 . .
La15 O45 H45B 113.1 . .
La16 O45 H45B 113.1 . .
C82 O46 La15 95.6(8) . .
C82 O47 La16 157.1(9) . .
C82 O47 La15 92.0(8) . .
La16 O47 La15 109.6(3) . .
C76 O48 La20 95.1(9) . .
C76 O49 La15 133.0(9) . .
C76 O49 La20 92.8(8) . .
La15 O49 La20 94.1(3) . .
C84 O50 La20 91.8(10) . .
C84 O51 La16 157.4(10) . .
C84 O51 La20 91.0(9) . .
La16 O51 La20 109.6(3) . .
La8 O52 La16 110.3(3) . .
La8 O52 La19 97.7(3) . .
La16 O52 La19 109.3(3) . .
La8 O52 H52B 112.8 . .
La16 O52 H52B 112.8 . .
La19 O52 H52B 112.8 . .
La19 O53 La8 97.6(3) . .
La19 O53 La9 112.0(3) . .
La8 O53 La9 108.6(3) . .
La19 O53 H53B 112.5 . .
La8 O53 H53B 112.5 . .
La9 O53 H53B 112.5 . .
C86 O54 La19 89.4(11) . .
C86 O55 La19 94.3(12) . .
C94 O56 La9 155.3(8) . .
C94 O56 La8 93.5(8) . .
La9 O56 La8 108.7(3) . .
C94 O57 La8 92.6(8) . .
C92 O58 La16 155.6(8) . .
C92 O58 La8 91.8(7) . .
La16 O58 La8 108.5(3) . .
C92 O59 La8 94.2(7) . .
C88 O60 La19 136.3(9) . .
C88 O60 La8 90.9(8) . .
La19 O60 La8 94.9(3) . .
C88 O61 La8 97.0(9) . .
C96 O62 La19 98.0(8) . .
C96 O63 La9 155.3(9) . .
C96 O63 La19 93.3(8) . .
La9 O63 La19 109.7(3) . .
C90 O64 La10 139.1(9) . .
C90 O65 La16 148.9(9) . .
C98 O66 La9 151.6(8) . .
C98 O66 La10 92.9(7) . .
La9 O66 La10 108.4(3) . .
C98 O67 La10 92.7(8) . .
La9 O68 La10 111.5(3) . .
La9 O68 La1 109.2(3) . .
La10 O68 La1 98.6(3) . .
La9 O68 H68A 112.2 . .
La10 O68 H68A 112.2 . .
La1 O68 H68A 112.2 . .
C108 O69 La3 138.1(8) . .
C108 O70 La9 151.1(8) . .
C104 O71 La1 93.5(7) . .
C104 O72 La1 92.1(8) . .
C100 O73 La10 95.8(8) . .
C100 O74 La1 135.4(8) . .
C100 O74 La10 93.4(8) . .
La1 O74 La10 94.7(3) . .
C106 O75 La2 155.3(8) . .
C106 O75 La1 92.3(7) . .
La2 O75 La1 109.9(3) . .
C106 O76 La1 96.9(7) . .
C102 O77 La10 94.6(8) . .
C102 O78 La2 155.2(8) . .
C102 O78 La10 93.4(7) . .
La2 O78 La10 109.4(3) . .
La10 O79 La1 97.7(2) . .
La10 O79 La2 109.8(3) . .
La1 O79 La2 110.0(3) . .
La10 O79 H79D 112.8 . .
La1 O79 H79D 112.8 . .
La2 O79 H79D 112.8 . .
C118 O80 La3 92.6(8) . .
C118 O81 La17 127.1(8) . .
C118 O81 La3 94.1(8) . .
La17 O81 La3 95.4(3) . .
C114 O82 La17 89.8(7) . .
C114 O83 La17 93.3(8) . .
C110 O84 La2 154.7(8) . .
C110 O84 La3 93.9(7) . .
La2 O84 La3 107.0(3) . .
C110 O85 La3 95.8(7) . .
C112 O86 La2 145.1(8) . .
C112 O87 La11 141.8(8) . .
C116 O88 La3 94.8(8) . .
C116 O89 La7 155.2(9) . .
C116 O89 La3 94.2(8) . .
La7 O89 La3 109.9(3) . .
La2 O90 La3 111.2(3) . .
La2 O90 La17 110.8(3) . .
La3 O90 La17 98.0(3) . .
La2 O90 H90A 112.0 . .
La3 O90 H90A 112.0 . .
La17 O90 H90A 112.0 . .
La17 O91 La7 110.3(3) . .
La17 O91 La3 96.3(2) . .
La7 O91 La3 109.8(3) . .
La17 O91 H91D 113.1 . .
La7 O91 H91D 113.1 . .
La3 O91 H91D 113.1 . .
C120 O92 La7 155.7(8) . .
C120 O92 La17 93.5(7) . .
La7 O92 La17 108.6(3) . .
C120 O93 La17 96.2(8) . .
C122 O94 La11 94.6(7) . .
C122 O95 La7 154.7(8) . .
C122 O95 La11 93.7(8) . .
La7 O95 La11 108.0(3) . .
C126 O96 La11 94.5(7) . .
La7 O97 La11 111.5(3) . .
La7 O97 La18 111.0(3) . .
La11 O97 La18 98.1(3) . .
La7 O97 H97D 111.8 . .
La11 O97 H97D 111.8 . .
La18 O97 H97D 111.8 . .
C124 O98 La11 93.8(8) . .
C124 O99 La18 130.9(7) . .
C124 O99 La11 92.3(7) . .
La18 O99 La11 94.3(3) . .
C126 O100 La12 152.9(7) . .
C126 O100 La11 95.7(7) . .
La12 O100 La11 110.3(3) . .
C132 O101 La18 93.7(10) . .
C132 O102 La18 89.4(9) . .
C128 O103 La7 146.1(8) . .
C128 O104 La21 139.4(7) . .
La18 O105 La12 113.1(3) . .
La18 O105 La11 96.4(2) . .
La12 O105 La11 110.1(3) . .
La18 O105 H10P 112.1 . .
La12 O105 H10P 112.1 . .
La11 O105 H10P 112.1 . .
La12 O106 La21 110.8(3) . .
La12 O106 La14 109.6(3) . .
La21 O106 La14 98.6(3) . .
La12 O106 H10Q 112.4 . .
La21 O106 H10Q 112.4 . .
La14 O106 H10Q 112.4 . .
C134 O107 La12 158.6(8) . .
C134 O107 La18 91.8(7) . .
La12 O107 La18 108.6(3) . .
C134 O108 La18 95.7(8) . .
C140 O109 La21 94.0(8) . .
C140 O110 La14 131.7(9) . .
C140 O110 La21 91.6(9) . .
La14 O110 La21 93.9(3) . .
C64 O111 La21 93.2(9) 3_565 .
C130 O112 La12 152.7(7) . .
C130 O112 La21 94.2(7) . .
La12 O112 La21 106.9(3) . .
C130 O113 La21 98.4(8) . .
C58 O114 La12 152.7(8) 3_565 .
C138 O115 La14 94.6(7) . .
C136 O116 La14 84.2(12) . .
C136 O117 La14 80.0(11) . .
C74 O118 La6 150.4(7) . .
C74 O119 La8 139.3(7) . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 O1 124.5(14) . .
C3 C2 C7 123.7(14) . .
O1 C2 C7 111.7(11) . .
C2 C3 C4 122.9(15) . .
C2 C3 H3A 118.5 . .
C4 C3 H3A 118.5 . .
C3 C4 C5 115.2(14) . .
C3 C4 H4A 122.4 . .
C5 C4 H4A 122.4 . .
C6 C5 C4 120.0(14) . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C7 C6 C5 123.7(14) . .
C7 C6 C8 123.2(12) . .
C5 C6 C8 113.0(12) . .
O2 C7 C6 124.8(13) . .
O2 C7 C2 120.7(12) . .
C6 C7 C2 114.5(13) . .
O3 C8 C6 126.6(13) . .
O3 C8 H8A 116.7 . .
C6 C8 H8A 116.7 . .
O4 C9 H9A 109.5 . .
O4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C15 122.9(12) . .
C11 C10 O4 122.0(12) . .
C15 C10 O4 114.7(11) . .
C10 C11 C12 119.7(14) . .
C10 C11 H11C 120.2 . .
C12 C11 H11C 120.2 . .
C13 C12 C11 118.1(14) . .
C13 C12 H12A 120.9 . .
C11 C12 H12A 120.9 . .
C12 C13 C14 123.4(14) . .
C12 C13 H13A 118.3 . .
C14 C13 H13A 118.3 . .
C13 C14 C16 117.9(13) . .
C13 C14 C15 119.0(13) . .
C16 C14 C15 122.9(12) . .
O5 C15 C10 119.4(10) . .
O5 C15 C14 124.1(11) . .
C10 C15 C14 116.5(11) . .
O6 C16 C14 128.4(14) . .
O6 C16 H16A 115.8 . .
C14 C16 H16A 115.8 . .
O7 C17 H17A 109.5 . .
O7 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O7 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 126.4(16) . .
C19 C18 O7 120.8(16) . .
C23 C18 O7 112.4(13) . .
C18 C19 C20 118.6(17) . .
C18 C19 H19A 120.7 . .
C20 C19 H19A 120.7 . .
C21 C20 C19 118.3(17) . .
C21 C20 H20A 120.8 . .
C19 C20 H20A 120.8 . .
C20 C21 C22 120.8(16) . .
C20 C21 H21A 119.6 . .
C22 C21 H21A 119.6 . .
C24 C22 C23 122.4(14) . .
C24 C22 C21 117.2(15) . .
C23 C22 C21 120.2(14) . .
O8 C23 C18 121.5(13) . .
O8 C23 C22 123.4(13) . .
C18 C23 C22 115.1(14) . .
O9 C24 C22 126.4(15) . .
O9 C24 H24A 116.8 . .
C22 C24 H24A 116.8 . .
O10 C25 H25A 109.5 . .
O10 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
O10 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 O10 124.4(13) . .
C27 C26 C31 122.2(12) . .
O10 C26 C31 113.2(11) . .
C26 C27 C28 121.8(14) . .
C26 C27 H27A 119.1 . .
C28 C27 H27A 119.1 . .
C29 C28 C27 116.1(13) . .
C29 C28 H28A 121.9 . .
C27 C28 H28A 121.9 . .
C28 C29 C30 123.2(14) . .
C28 C29 H29A 118.4 . .
C30 C29 H29A 118.4 . .
C29 C30 C31 121.2(12) . .
C29 C30 C32 116.4(12) . .
C31 C30 C32 122.3(11) . .
O11 C31 C30 125.1(11) . .
O11 C31 C26 119.4(11) . .
C30 C31 C26 115.4(11) . .
O12 C32 C30 124.9(12) . .
O12 C32 H32A 117.6 . .
C30 C32 H32A 117.6 . .
O13 C33 H33A 109.5 . .
O13 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
O13 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C35 C34 C39 126.8(13) . .
C35 C34 O13 118.5(12) . .
C39 C34 O13 114.8(11) . .
C34 C35 C36 114.6(13) . .
C34 C35 H35A 122.7 . .
C36 C35 H35A 122.7 . .
C37 C36 C35 121.7(14) . .
C37 C36 H36A 119.2 . .
C35 C36 H36A 119.2 . .
C36 C37 C38 119.7(13) . .
C36 C37 H37A 120.2 . .
C38 C37 H37A 120.2 . .
C37 C38 C39 122.1(12) . .
C37 C38 C40 114.9(12) . .
C39 C38 C40 122.9(12) . .
O14 C39 C34 122.2(12) . .
O14 C39 C38 122.7(11) . .
C34 C39 C38 115.1(11) . .
O15 C40 C38 129.5(13) . .
O15 C40 H40A 115.2 . .
C38 C40 H40A 115.2 . .
O16 C41 H41A 109.5 . .
O16 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
O16 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C43 C42 O16 126.7(12) . .
C43 C42 C47 121.2(11) . .
O16 C42 C47 112.1(10) . .
C42 C43 C44 122.0(12) . .
C42 C43 H43A 119.0 . .
C44 C43 H43A 119.0 . .
C45 C44 C43 119.0(11) . .
C45 C44 H44A 120.5 . .
C43 C44 H44A 120.5 . .
C44 C45 C46 121.3(12) . .
C44 C45 H45A 119.3 . .
C46 C45 H45A 119.3 . .
C47 C46 C45 120.8(11) . .
C47 C46 C48 124.0(12) . .
C45 C46 C48 114.9(12) . .
O17 C47 C46 124.8(11) . .
O17 C47 C42 119.5(11) . .
C46 C47 C42 115.6(10) . .
O18 C48 C46 124.3(12) . .
O18 C48 H48A 117.9 . .
C46 C48 H48A 117.9 . .
O19 C49 H49A 109.5 . .
O19 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
O19 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C51 C50 C55 123.6(12) . .
C51 C50 O19 121.9(11) . .
C55 C50 O19 114.5(10) . .
C50 C51 C52 118.1(12) . .
C50 C51 H51A 121.0 . .
C52 C51 H51A 121.0 . .
C53 C52 C51 119.6(13) . .
C53 C52 H52A 120.2 . .
C51 C52 H52A 120.2 . .
C52 C53 C54 121.1(13) . .
C52 C53 H53A 119.4 . .
C54 C53 H53A 119.4 . .
C53 C54 C55 119.5(12) . .
C53 C54 C56 119.2(12) . .
C55 C54 C56 121.1(12) . .
O20 C55 C50 119.1(10) . .
O20 C55 C54 123.0(11) . .
C50 C55 C54 117.9(11) . .
O21 C56 C54 130.5(13) . .
O21 C56 H56A 114.7 . .
C54 C56 H56A 114.7 . .
C58 C57 H57A 109.5 . .
C58 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C58 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
O25 C58 O114 123.2(11) . 3_565
O25 C58 C57 121.6(11) . .
O114 C58 C57 115.2(11) 3_565 .
C60 C59 H59A 109.5 . .
C60 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C60 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
O33 C60 O32 118.0(11) . .
O33 C60 C59 120.5(11) . .
O32 C60 C59 121.4(11) . .
O33 C60 La5 58.1(6) . .
O32 C60 La5 60.1(6) . .
C59 C60 La5 175.4(9) . .
C62 C61 H61A 109.5 . .
C62 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C62 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
O26 C62 O27 124.5(14) . .
O26 C62 C61 118.1(15) . .
O27 C62 C61 117.4(14) . .
O26 C62 La4 62.4(8) . .
O27 C62 La4 62.1(8) . .
C61 C62 La4 176.9(11) . .
C64 C63 H63A 109.5 . .
C64 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C64 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
O111 C64 O24 119.1(14) 3_565 .
O111 C64 C63 117.8(15) 3_565 .
O24 C64 C63 123.1(13) . .
O111 C64 La21 60.3(8) 3_565 3_565
O24 C64 La21 59.5(7) . 3_565
C63 C64 La21 171.7(13) . 3_565
C66 C65 H65A 109.5 . .
C66 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C66 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
O34 C66 O35 120.3(11) . .
O34 C66 C65 119.3(10) . .
O35 C66 C65 120.2(11) . .
O34 C66 La5 59.8(6) . .
O35 C66 La5 61.0(6) . .
C65 C66 La5 167.3(10) . .
C68 C67 H67A 109.5 . .
C68 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C68 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
O36 C68 O37 119.3(11) . .
O36 C68 C67 123.2(12) . .
O37 C68 C67 117.6(11) . .
O36 C68 La5 59.5(6) . .
O37 C68 La5 60.0(6) . .
C67 C68 La5 174.2(9) . .
C70 C69 H69A 109.5 . .
C70 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C70 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
O39 C70 O38 124.3(11) . .
O39 C70 C69 116.9(11) . .
O38 C70 C69 118.9(11) . .
C72 C71 H71A 109.5 . .
C72 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C72 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
O43 C72 O44 120.7(13) . .
O43 C72 C71 121.9(18) . .
O44 C72 C71 117.4(18) . .
O43 C72 La15 59.5(7) . .
O44 C72 La15 61.2(7) . .
C71 C72 La15 178.1(15) . .
C74 C73 H73A 109.5 . .
C74 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C74 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
O118 C74 O119 121.2(11) . .
O118 C74 C73 118.0(11) . .
O119 C74 C73 120.7(10) . .
C76 C75 H75A 109.5 . .
C76 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C76 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
O48 C76 O49 119.2(13) . .
O48 C76 C75 118.8(14) . .
O49 C76 C75 121.9(14) . .
O48 C76 La20 58.7(7) . .
O49 C76 La20 60.6(7) . .
C75 C76 La20 177.4(12) . .
C78 C77 H77A 109.5 . .
C78 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C78 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
O42 C78 O41 116.2(11) . .
O42 C78 C77 123.9(13) . .
O41 C78 C77 119.9(12) . .
O42 C78 La20 57.3(7) . .
O41 C78 La20 59.0(6) . .
C77 C78 La20 175.3(9) . .
C80 C79 H79A 109.5 . .
C80 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C80 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
O29 C80 O30 119.5(11) . .
O29 C80 C79 121.5(12) . .
O30 C80 C79 119.0(12) . .
O29 C80 La4 58.9(6) . .
O30 C80 La4 60.7(6) . .
C79 C80 La4 176.8(9) . .
C82 C81 H81A 109.5 . .
C82 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C82 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
O46 C82 O47 120.2(13) . .
O46 C82 C81 120.7(12) . .
O47 C82 C81 119.0(14) . .
O46 C82 La15 59.0(7) . .
O47 C82 La15 61.2(7) . .
C81 C82 La15 178.6(12) . .
C84 C83 H83A 109.5 . .
C84 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C84 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
O50 C84 O51 124.0(15) . .
O50 C84 C83 118.5(16) . .
O51 C84 C83 117.5(14) . .
O50 C84 La20 62.3(8) . .
O51 C84 La20 62.1(8) . .
C83 C84 La20 173.1(12) . .
C86 C85 H85A 109.5 . .
C86 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C86 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
O55 C86 O54 121.4(19) . .
O55 C86 C85 122(2) . .
O54 C86 C85 116.3(19) . .
O55 C86 La19 59.5(10) . .
O54 C86 La19 62.1(10) . .
C85 C86 La19 171.3(14) . .
C88 C87 H87A 109.5 . .
C88 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C88 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
O61 C88 O60 119.4(13) . .
O61 C88 C87 122.5(15) . .
O60 C88 C87 117.9(14) . .
O61 C88 La8 57.8(8) . .
O60 C88 La8 61.8(7) . .
C87 C88 La8 179.0(11) . .
C90 C89 H89A 109.5 . .
C90 C89 H89B 109.5 . .
H89A C89 H89B 109.5 . .
C90 C89 H89C 109.5 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.5 . .
O65 C90 O64 121.8(14) . .
O65 C90 C89 116.4(12) . .
O64 C90 C89 121.8(13) . .
C92 C91 H91A 109.5 . .
C92 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C92 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
O59 C92 O58 120.8(12) . .
O59 C92 C91 121.3(11) . .
O58 C92 C91 117.9(11) . .
O59 C92 La8 59.9(6) . .
O58 C92 La8 61.1(6) . .
C91 C92 La8 173.9(9) . .
C94 C93 H93A 109.5 . .
C94 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C94 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
O57 C94 O56 121.0(12) . .
O57 C94 C93 121.7(13) . .
O56 C94 C93 117.3(13) . .
O57 C94 La8 61.1(7) . .
O56 C94 La8 60.0(6) . .
C93 C94 La8 174.7(10) . .
C96 C95 H95A 109.5 . .
C96 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C96 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
O62 C96 O63 116.9(13) . .
O62 C96 C95 123.2(12) . .
O63 C96 C95 119.9(12) . .
O62 C96 La19 57.0(7) . .
O63 C96 La19 59.9(7) . .
C95 C96 La19 179.0(11) . .
C98 C97 H97A 109.5 . .
C98 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C98 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
O67 C98 O66 120.1(11) . .
O67 C98 C97 118.2(12) . .
O66 C98 C97 121.5(12) . .
O67 C98 La10 61.0(7) . .
O66 C98 La10 59.8(6) . .
C97 C98 La10 176.2(9) . .
C100 C99 H99A 109.5 . .
C100 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C100 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
O74 C100 O73 118.6(13) . .
O74 C100 C99 120.2(14) . .
O73 C100 C99 121.2(13) . .
O74 C100 La10 60.7(7) . .
O73 C100 La10 58.0(7) . .
C99 C100 La10 178.9(11) . .
C102 C101 H10A 109.5 . .
C102 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C102 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
O77 C102 O78 118.5(11) . .
O77 C102 C101 122.5(13) . .
O78 C102 C101 119.0(12) . .
O77 C102 La10 59.7(7) . .
O78 C102 La10 59.6(6) . .
C101 C102 La10 170.6(10) . .
C104 C103 H10D 109.5 . .
C104 C103 H10E 109.5 . .
H10D C103 H10E 109.5 . .
C104 C103 H10F 109.5 . .
H10D C103 H10F 109.5 . .
H10E C103 H10F 109.5 . .
O72 C104 O71 121.4(12) . .
O72 C104 C103 121.8(13) . .
O71 C104 C103 116.6(12) . .
O72 C104 La1 61.7(6) . .
O71 C104 La1 59.8(6) . .
C103 C104 La1 170.8(10) . .
C106 C105 H10G 109.5 . .
C106 C105 H10H 109.5 . .
H10G C105 H10H 109.5 . .
C106 C105 H10I 109.5 . .
H10G C105 H10I 109.5 . .
H10H C105 H10I 109.5 . .
O75 C106 O76 118.3(11) . .
O75 C106 C105 121.6(11) . .
O76 C106 C105 120.1(11) . .
O75 C106 La1 61.5(6) . .
O76 C106 La1 56.8(6) . .
C105 C106 La1 176.6(9) . .
C108 C107 H10J 109.5 . .
C108 C107 H10K 109.5 . .
H10J C107 H10K 109.5 . .
C108 C107 H10L 109.5 . .
H10J C107 H10L 109.5 . .
H10K C107 H10L 109.5 . .
O69 C108 O70 123.1(11) . .
O69 C108 C107 122.7(11) . .
O70 C108 C107 114.2(12) . .
C110 C109 H10M 109.5 . .
C110 C109 H10N 109.5 . .
H10M C109 H10N 109.5 . .
C110 C109 H10O 109.5 . .
H10M C109 H10O 109.5 . .
H10N C109 H10O 109.5 . .
O85 C110 O84 118.1(11) . .
O85 C110 C109 123.8(11) . .
O84 C110 C109 118.0(12) . .
O85 C110 La3 58.6(6) . .
O84 C110 La3 59.6(6) . .
C109 C110 La3 174.1(9) . .
C112 C111 H11D 109.5 . .
C112 C111 H11E 109.5 . .
H11D C111 H11E 109.5 . .
C112 C111 H11F 109.5 . .
H11D C111 H11F 109.5 . .
H11E C111 H11F 109.5 . .
O86 C112 O87 122.9(11) . .
O86 C112 C111 118.9(11) . .
O87 C112 C111 118.2(11) . .
C114 C113 H11G 109.5 . .
C114 C113 H11H 109.5 . .
H11G C113 H11H 109.5 . .
C114 C113 H11I 109.5 . .
H11G C113 H11I 109.5 . .
H11H C113 H11I 109.5 . .
O83 C114 O82 121.7(11) . .
O83 C114 C113 121.2(13) . .
O82 C114 C113 117.0(12) . .
O83 C114 La17 60.6(6) . .
O82 C114 La17 61.7(6) . .
C113 C114 La17 175.3(10) . .
C116 C115 H11J 109.5 . .
C116 C115 H11K 109.5 . .
H11J C115 H11K 109.5 . .
C116 C115 H11L 109.5 . .
H11J C115 H11L 109.5 . .
H11K C115 H11L 109.5 . .
O88 C116 O89 117.6(13) . .
O88 C116 C115 121.6(13) . .
O89 C116 C115 120.8(13) . .
O88 C116 La3 59.5(7) . .
O89 C116 La3 59.3(7) . .
C115 C116 La3 170.2(10) . .
C118 C117 H11M 109.5 . .
C118 C117 H11N 109.5 . .
H11M C117 H11N 109.5 . .
C118 C117 H11O 109.5 . .
H11M C117 H11O 109.5 . .
H11N C117 H11O 109.5 . .
O81 C118 O80 119.9(12) . .
O81 C118 C117 119.1(13) . .
O80 C118 C117 120.9(12) . .
O81 C118 La3 59.4(7) . .
O80 C118 La3 60.6(7) . .
C117 C118 La3 178.5(11) . .
C120 C119 H11P 109.5 . .
C120 C119 H11Q 109.5 . .
H11P C119 H11Q 109.5 . .
C120 C119 H11R 109.5 . .
H11P C119 H11R 109.5 . .
H11Q C119 H11R 109.5 . .
O93 C120 O92 118.2(12) . .
O93 C120 C119 120.4(12) . .
O92 C120 C119 121.2(12) . .
O93 C120 La17 58.1(7) . .
O92 C120 La17 60.1(6) . .
C119 C120 La17 176.8(10) . .
C122 C121 H12B 109.5 . .
C122 C121 H12C 109.5 . .
H12B C121 H12C 109.5 . .
C122 C121 H12D 109.5 . .
H12B C121 H12D 109.5 . .
H12C C121 H12D 109.5 . .
O94 C122 O95 118.2(12) . .
O94 C122 C121 122.1(11) . .
O95 C122 C121 119.7(12) . .
O94 C122 La11 58.9(7) . .
O95 C122 La11 59.7(6) . .
C121 C122 La11 174.8(9) . .
C124 C123 H12E 109.5 . .
C124 C123 H12F 109.5 . .
H12E C123 H12F 109.5 . .
C124 C123 H12G 109.5 . .
H12E C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
O98 C124 O99 121.2(12) . .
O98 C124 C123 119.9(12) . .
O99 C124 C123 118.7(12) . .
O98 C124 La11 60.5(7) . .
O99 C124 La11 60.7(6) . .
C123 C124 La11 177.7(10) . .
C126 C125 H12H 109.5 . .
C126 C125 H12I 109.5 . .
H12H C125 H12I 109.5 . .
C126 C125 H12J 109.5 . .
H12H C125 H12J 109.5 . .
H12I C125 H12J 109.5 . .
O100 C126 O96 116.6(10) . .
O100 C126 C125 120.7(11) . .
O96 C126 C125 122.5(11) . .
O100 C126 La11 58.2(6) . .
O96 C126 La11 59.3(6) . .
C125 C126 La11 174.7(9) . .
C128 C127 H12K 109.5 . .
C128 C127 H12L 109.5 . .
H12K C127 H12L 109.5 . .
C128 C127 H12M 109.5 . .
H12K C127 H12M 109.5 . .
H12L C127 H12M 109.5 . .
O103 C128 O104 122.0(11) . .
O103 C128 C127 118.9(11) . .
O104 C128 C127 119.1(11) . .
C130 C129 H12N 109.5 . .
C130 C129 H12O 109.5 . .
H12N C129 H12O 109.5 . .
C130 C129 H12P 109.5 . .
H12N C129 H12P 109.5 . .
H12O C129 H12P 109.5 . .
O113 C130 O112 114.4(11) . .
O113 C130 C129 126.7(12) . .
O112 C130 C129 118.8(11) . .
O113 C130 La21 56.5(7) . .
O112 C130 La21 58.3(6) . .
C129 C130 La21 175.5(9) . .
C132 C131 H13B 109.5 . .
C132 C131 H13C 109.5 . .
H13B C131 H13C 109.5 . .
C132 C131 H13D 109.5 . .
H13B C131 H13D 109.5 . .
H13C C131 H13D 109.5 . .
O101 C132 O102 122.2(16) . .
O101 C132 C131 123.2(18) . .
O102 C132 C131 114.6(16) . .
O101 C132 La18 59.5(8) . .
O102 C132 La18 63.2(8) . .
C131 C132 La18 173.1(15) . .
C134 C133 H13E 109.5 . .
C134 C133 H13F 109.5 . .
H13E C133 H13F 109.5 . .
C134 C133 H13G 109.5 . .
H13E C133 H13G 109.5 . .
H13F C133 H13G 109.5 . .
O107 C134 O108 120.6(12) . .
O107 C134 C133 119.1(12) . .
O108 C134 C133 120.2(12) . .
O107 C134 La18 62.5(7) . .
O108 C134 La18 58.2(7) . .
C133 C134 La18 178.3(10) . .
C136 C135 H13H 109.5 . .
C136 C135 H13I 109.5 . .
H13H C135 H13I 109.5 . .
C136 C135 H13J 109.5 . .
H13H C135 H13J 109.5 . .
H13I C135 H13J 109.5 . .
O116 C136 O117 136(2) . .
O116 C136 C135 112(2) . .
O117 C136 C135 112(2) . .
O116 C136 La14 67.3(10) . .
O117 C136 La14 69.1(11) . .
C135 C136 La14 170.2(14) . .
C138 C137 H13K 109.5 . .
C138 C137 H13L 109.5 . .
H13K C137 H13L 109.5 . .
C138 C137 H13M 109.5 . .
H13K C137 H13M 109.5 . .
H13L C137 H13M 109.5 . .
O22 C138 O115 121.5(11) 3_565 .
O22 C138 C137 120.9(11) 3_565 .
O115 C138 C137 117.4(12) . .
O22 C138 La14 62.4(6) 3_565 .
O115 C138 La14 59.1(6) . .
C137 C138 La14 174.8(9) . .
C140 C139 H13O 109.5 . .
C140 C139 H13P 109.5 . .
H13O C139 H13P 109.5 . .
C140 C139 H13Q 109.5 . .
H13O C139 H13Q 109.5 . .
H13P C139 H13Q 109.5 . .
O110 C140 O109 121.4(14) . .
O110 C140 C139 117.0(14) . .
O109 C140 C139 121.6(13) . .
O110 C140 La21 62.1(8) . .
O109 C140 La21 59.3(7) . .
C139 C140 La21 178.3(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O12 2.394(9) .
La1 O11 2.434(8) .
La1 O76 2.437(8) .
La1 O68 2.447(7) .
La1 O74 2.447(8) .
La1 O79 2.449(7) .
La1 O71 2.450(8) .
La1 O72 2.492(8) .
La1 O75 2.544(8) .
La1 C104 2.828(13) .
La1 C106 2.892(13) .
La1 La10 3.6664(12) .
La2 O86 2.354(8) .
La2 O90 2.371(7) .
La2 O75 2.372(7) .
La2 O78 2.390(8) .
La2 O84 2.393(7) .
La2 O14 2.448(8) .
La2 O79 2.464(8) .
La2 O13 2.520(8) .
La2 La3 3.9264(11) .
La2 La17 3.9553(11) .
La2 La10 3.9933(11) .
La3 O69 2.386(8) .
La3 O90 2.387(7) .
La3 O91 2.470(7) .
La3 O85 2.473(8) .
La3 O84 2.492(7) .
La3 O81 2.498(8) .
La3 O89 2.498(8) .
La3 O88 2.503(9) .
La3 O80 2.524(8) .
La3 C110 2.883(12) .
La3 C118 2.893(14) .
La3 C116 2.896(14) .
La4 O3 2.417(8) .
La4 O32 2.422(7) .
La4 O31 2.424(7) .
La4 O28 2.430(7) .
La4 O27 2.456(9) .
La4 O26 2.464(9) .
La4 O2 2.488(8) .
La4 O29 2.508(8) .
La4 O30 2.546(7) .
La4 C62 2.780(16) .
La4 C80 2.916(12) .
La4 La5 3.6456(9) .
La5 O28 2.378(7) .
La5 O25 2.392(7) .
La5 O31 2.477(7) .
La5 O36 2.486(8) .
La5 O33 2.489(8) .
La5 O37 2.492(7) .
La5 O34 2.496(7) .
La5 O35 2.522(8) .
La5 O32 2.533(8) .
La5 C68 2.874(13) .
La5 C66 2.881(12) .
La5 C60 2.918(12) .
La6 O118 2.343(7) .
La6 O41 2.365(8) .
La6 O40 2.368(7) .
La6 O30 2.395(8) .
La6 O34 2.427(7) .
La6 O5 2.450(7) .
La6 O31 2.457(7) .
La6 O4 2.521(8) .
La6 La20 3.9300(11) .
La6 La15 3.9709(14) .
La7 O103 2.313(7) .
La7 O92 2.367(8) .
La7 O95 2.369(7) .
La7 O97 2.383(8) .
La7 O89 2.414(9) .
La7 O91 2.444(7) .
La7 O17 2.453(7) .
La7 O16 2.561(8) .
La7 La11 3.9435(10) .
La7 La18 3.9648(12) .
La7 La17 3.9894(12) .
La8 O119 2.364(7) .
La8 O52 2.404(7) .
La8 O53 2.429(7) .
La8 O59 2.475(8) .
La8 O61 2.482(9) .
La8 O56 2.488(8) .
La8 O58 2.499(8) .
La8 O57 2.513(8) .
La8 O60 2.566(9) .
La8 C92 2.854(13) .
La8 C94 2.866(13) .
La8 C88 2.912(15) .
La9 O70 2.359(8) .
La9 O66 2.363(7) .
La9 O68 2.367(7) .
La9 O63 2.385(8) .
La9 O56 2.386(8) .
La9 O11 2.419(8) .
La9 O53 2.447(8) .
La9 O10 2.532(8) .
La9 La10 3.9327(11) .
La9 La19 4.0417(11) .
La10 O64 2.372(8) .
La10 O68 2.389(7) .
La10 O79 2.418(7) .
La10 O73 2.473(9) .
La10 O66 2.486(7) .
La10 O78 2.502(8) .
La10 O77 2.508(9) .
La10 O67 2.515(9) .
La10 O74 2.535(8) .
La10 C98 2.872(13) .
La10 C102 2.894(13) .
La10 C100 2.902(15) .
La11 O87 2.342(8) .
La11 O97 2.387(7) .
La11 O105 2.453(7) .
La11 O100 2.480(7) .
La11 O94 2.485(8) .
La11 O95 2.504(7) .
La11 O96 2.505(8) .
La11 O98 2.544(9) .
La11 O99 2.546(8) .
La11 C122 2.894(14) .
La11 C126 2.904(12) .
La11 C124 2.916(14) .
La12 O114 2.346(7) .
La12 O106 2.364(7) .
La12 O112 2.364(8) .
La12 O107 2.400(8) .
La12 O100 2.404(7) .
La12 O105 2.435(7) .
La12 O20 2.447(7) .
La12 O19 2.525(8) .
La12 La21 3.9153(11) .
La12 La14 3.9315(10) .
La12 La18 4.0572(13) .
La13 O39 2.355(8) .
La13 O37 2.359(7) .
La13 O22 2.363(9) .
La13 O24 2.378(8) .
La13 O28 2.386(7) .
La13 O2 2.424(7) .
La13 O23 2.440(7) .
La13 O1 2.522(8) .
La13 La21 3.9555(12) 3_565
La13 La14 4.0457(18) 3_565
La14 O20 2.410(8) .
La14 O21 2.420(8) .
La14 O110 2.442(9) .
La14 O106 2.448(7) .
La14 O23 2.464(8) 3_565
La14 O116 2.468(10) .
La14 O115 2.494(8) .
La14 O117 2.525(13) .
La14 O22 2.568(8) 3_565
La14 C136 2.66(2) .
La14 C138 2.897(12) .
La14 La21 3.6681(13) .
La15 O6 2.413(9) .
La15 O49 2.419(9) .
La15 O43 2.422(9) .
La15 O45 2.446(7) .
La15 O5 2.448(8) .
La15 O40 2.449(7) .
La15 O44 2.458(10) .
La15 O46 2.512(8) .
La15 O47 2.558(8) .
La15 C72 2.804(14) .
La15 C82 2.916(15) .
La15 La20 3.6464(12) .
La16 O65 2.331(9) .
La16 O58 2.364(8) .
La16 O47 2.374(9) .
La16 O51 2.386(9) .
La16 O52 2.405(8) .
La16 O8 2.441(8) .
La16 O45 2.464(7) .
La16 O7 2.522(9) .
La16 La19 3.9616(13) .
La16 La20 3.9966(17) .
La17 O91 2.417(7) .
La17 O15 2.417(9) .
La17 O81 2.423(9) .
La17 O83 2.432(8) .
La17 O90 2.435(7) .
La17 O14 2.447(8) .
La17 O82 2.455(8) .
La17 O93 2.501(8) .
La17 O92 2.545(8) .
La17 C114 2.788(12) .
La17 C120 2.929(14) .
La18 O18 2.412(8) .
La18 O17 2.413(8) .
La18 O99 2.414(8) .
La18 O105 2.427(7) .
La18 O97 2.427(7) .
La18 O101 2.428(9) .
La18 O108 2.497(9) .
La18 O102 2.511(9) .
La18 O107 2.593(7) .
La18 C132 2.812(18) .
La18 C134 2.923(14) .
La19 O60 2.392(9) .
La19 O9 2.406(10) .
La19 O53 2.427(8) .
La19 O55 2.437(10) .
La19 O8 2.440(9) .
La19 O52 2.451(8) .
La19 O54 2.491(11) .
La19 O62 2.499(9) .
La19 O63 2.557(8) .
La19 C86 2.82(2) .
La19 C96 2.951(15) .
La20 O38 2.359(8) .
La20 O40 2.386(8) .
La20 O45 2.437(8) .
La20 O42 2.459(9) .
La20 O41 2.493(8) .
La20 O51 2.503(8) .
La20 O50 2.508(9) .
La20 O48 2.519(9) .
La20 O49 2.560(9) .
La20 C84 2.831(17) .
La20 C78 2.901(13) .
La20 C76 2.936(15) .
La21 O104 2.346(8) .
La21 O106 2.392(8) .
La21 O23 2.440(8) 3_565
La21 O113 2.476(9) .
La21 O24 2.492(8) 3_565
La21 O112 2.508(7) .
La21 O111 2.511(10) .
La21 O109 2.512(9) .
La21 O110 2.575(9) .
La21 C64 2.888(15) 3_565
La21 C140 2.914(16) .
La21 C130 2.938(13) .
O1 C2 1.404(15) .
O1 C1 1.417(14) .
O2 C7 1.317(14) .
O3 C8 1.240(13) .
O4 C10 1.425(14) .
O4 C9 1.437(14) .
O5 C15 1.333(12) .
O6 C16 1.250(15) .
O7 C18 1.435(17) .
O7 C17 1.451(17) .
O8 C23 1.328(15) .
O9 C24 1.229(15) .
O10 C26 1.374(13) .
O10 C25 1.458(15) .
O11 C31 1.305(13) .
O12 C32 1.230(13) .
O13 C34 1.399(14) .
O13 C33 1.461(13) .
O14 C39 1.307(12) .
O15 C40 1.241(13) .
O16 C42 1.385(13) .
O16 C41 1.439(13) .
O17 C47 1.342(12) .
O18 C48 1.264(13) .
O19 C50 1.412(13) .
O19 C49 1.428(13) .
O20 C55 1.359(13) .
O21 C56 1.221(14) .
O22 C138 1.273(14) 3_565
O22 La14 2.568(8) 3_565
O23 La21 2.440(8) 3_565
O23 La14 2.464(8) 3_565
O23 H23A 0.9800 .
O24 C64 1.313(16) .
O24 La21 2.492(8) 3_565
O25 C58 1.263(13) .
O26 C62 1.247(16) .
O27 C62 1.270(16) .
O28 H28B 0.9800 .
O29 C80 1.269(14) .
O30 C80 1.286(13) .
O31 H31A 0.9800 .
O32 C60 1.308(13) .
O33 C60 1.291(13) .
O34 C66 1.267(12) .
O35 C66 1.281(13) .
O36 C68 1.249(13) .
O37 C68 1.329(13) .
O38 C70 1.283(13) .
O39 C70 1.273(13) .
O40 H40B 0.9800 .
O41 C78 1.328(14) .
O42 C78 1.277(14) .
O43 C72 1.265(18) .
O44 C72 1.319(17) .
O45 H45B 0.9800 .
O46 C82 1.258(16) .
O47 C82 1.314(14) .
O48 C76 1.300(16) .
O49 C76 1.316(15) .
O50 C84 1.239(16) .
O51 C84 1.281(17) .
O52 H52B 0.9800 .
O53 H53B 0.9800 .
O54 C86 1.35(2) .
O55 C86 1.25(2) .
O56 C94 1.280(14) .
O57 C94 1.268(14) .
O58 C92 1.301(13) .
O59 C92 1.253(13) .
O60 C88 1.336(17) .
O61 C88 1.251(17) .
O62 C96 1.259(15) .
O63 C96 1.332(14) .
O64 C90 1.288(14) .
O65 C90 1.283(15) .
O66 C98 1.319(14) .
O67 C98 1.275(14) .
O68 H68A 0.9800 .
O69 C108 1.264(13) .
O70 C108 1.281(13) .
O71 C104 1.272(14) .
O72 C104 1.248(14) .
O73 C100 1.290(16) .
O74 C100 1.271(14) .
O75 C106 1.278(13) .
O76 C106 1.293(13) .
O77 C102 1.256(13) .
O78 C102 1.315(13) .
O79 H79D 0.9800 .
O80 C118 1.306(15) .
O81 C118 1.291(14) .
O82 C114 1.332(14) .
O83 C114 1.231(13) .
O84 C110 1.290(12) .
O85 C110 1.254(13) .
O86 C112 1.272(13) .
O87 C112 1.302(12) .
O88 C116 1.264(15) .
O89 C116 1.294(15) .
O90 H90A 0.9800 .
O91 H91D 0.9800 .
O92 C120 1.306(15) .
O93 C120 1.280(14) .
O94 C122 1.295(14) .
O95 C122 1.299(14) .
O96 C126 1.286(13) .
O97 H97D 0.9800 .
O98 C124 1.267(14) .
O99 C124 1.323(14) .
O100 C126 1.285(12) .
O101 C132 1.269(17) .
O102 C132 1.290(18) .
O103 C128 1.293(13) .
O104 C128 1.293(13) .
O105 H10P 0.9800 .
O106 H10Q 0.9800 .
O107 C134 1.271(14) .
O108 C134 1.293(14) .
O109 C140 1.313(17) .
O110 C140 1.294(15) .
O111 C64 1.292(15) 3_565
O112 C130 1.359(14) .
O113 C130 1.261(13) .
O114 C58 1.296(13) 3_565
O115 C138 1.288(14) .
O116 C136 1.28(2) .
O117 C136 1.39(2) .
O118 C74 1.255(12) .
O119 C74 1.280(13) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.376(18) .
C2 C7 1.472(19) .
C3 C4 1.381(19) .
C3 H3A 0.9300 .
C4 C5 1.51(2) .
C4 H4A 0.9300 .
C5 C6 1.418(18) .
C5 H5A 0.9300 .
C6 C7 1.380(17) .
C6 C8 1.447(17) .
C8 H8A 0.9300 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.364(17) .
C10 C15 1.415(16) .
C11 C12 1.446(18) .
C11 H11C 0.9300 .
C12 C13 1.361(18) .
C12 H12A 0.9300 .
C13 C14 1.394(17) .
C13 H13A 0.9300 .
C14 C16 1.395(17) .
C14 C15 1.452(16) .
C16 H16A 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.37(2) .
C18 C23 1.42(2) .
C19 C20 1.46(2) .
C19 H19A 0.9300 .
C20 C21 1.42(2) .
C20 H20A 0.9300 .
C21 C22 1.452(19) .
C21 H21A 0.9300 .
C22 C24 1.442(19) .
C22 C23 1.449(19) .
C24 H24A 0.9300 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.373(17) .
C26 C31 1.457(17) .
C27 C28 1.458(18) .
C27 H27A 0.9300 .
C28 C29 1.389(18) .
C28 H28A 0.9300 .
C29 C30 1.413(17) .
C29 H29A 0.9300 .
C30 C31 1.435(16) .
C30 C32 1.447(16) .
C32 H32A 0.9300 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 C35 1.385(16) .
C34 C39 1.394(16) .
C35 C36 1.458(18) .
C35 H35A 0.9300 .
C36 C37 1.372(16) .
C36 H36A 0.9300 .
C37 C38 1.402(17) .
C37 H37A 0.9300 .
C38 C39 1.419(16) .
C38 C40 1.419(16) .
C40 H40A 0.9300 .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 C43 1.369(15) .
C42 C47 1.481(16) .
C43 C44 1.397(16) .
C43 H43A 0.9300 .
C44 C45 1.381(16) .
C44 H44A 0.9300 .
C45 C46 1.434(16) .
C45 H45A 0.9300 .
C46 C47 1.416(16) .
C46 C48 1.459(16) .
C48 H48A 0.9300 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 C51 1.354(16) .
C50 C55 1.409(15) .
C51 C52 1.460(16) .
C51 H51A 0.9300 .
C52 C53 1.375(17) .
C52 H52A 0.9300 .
C53 C54 1.411(17) .
C53 H53A 0.9300 .
C54 C55 1.424(16) .
C54 C56 1.433(16) .
C56 H56A 0.9300 .
C57 C58 1.508(16) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C58 O114 1.296(13) 3_565
C59 C60 1.506(16) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C61 C62 1.56(2) .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C63 C64 1.438(19) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 O111 1.292(16) 3_565
C64 La21 2.888(15) 3_565
C65 C66 1.532(16) .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C67 C68 1.505(16) .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C69 C70 1.512(17) .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C71 C72 1.453(3) .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C73 C74 1.516(15) .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C75 C76 1.481(19) .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
C77 C78 1.457(16) .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C79 C80 1.519(16) .
C79 H79A 0.9600 .
C79 H79B 0.9600 .
C79 H79C 0.9600 .
C81 C82 1.537(19) .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
C83 C84 1.52(2) .
C83 H83A 0.9600 .
C83 H83B 0.9600 .
C83 H83C 0.9600 .
C85 C86 1.49(2) .
C85 H85A 0.9600 .
C85 H85B 0.9600 .
C85 H85C 0.9600 .
C87 C88 1.563(19) .
C87 H87A 0.9600 .
C87 H87B 0.9600 .
C87 H87C 0.9600 .
C89 C90 1.484(18) .
C89 H89A 0.9600 .
C89 H89B 0.9600 .
C89 H89C 0.9600 .
C91 C92 1.522(16) .
C91 H91A 0.9600 .
C91 H91B 0.9600 .
C91 H91C 0.9600 .
C93 C94 1.516(18) .
C93 H93A 0.9600 .
C93 H93B 0.9600 .
C93 H93C 0.9600 .
C95 C96 1.510(17) .
C95 H95A 0.9600 .
C95 H95B 0.9600 .
C95 H95C 0.9600 .
C97 C98 1.502(16) .
C97 H97A 0.9600 .
C97 H97B 0.9600 .
C97 H97C 0.9600 .
C99 C100 1.462(18) .
C99 H99A 0.9600 .
C99 H99B 0.9600 .
C99 H99C 0.9600 .
C101 C102 1.480(17) .
C101 H10A 0.9600 .
C101 H10B 0.9600 .
C101 H10C 0.9600 .
C103 C104 1.522(16) .
C103 H10D 0.9600 .
C103 H10E 0.9600 .
C103 H10F 0.9600 .
C105 C106 1.489(16) .
C105 H10G 0.9600 .
C105 H10H 0.9600 .
C105 H10I 0.9600 .
C107 C108 1.517(16) .
C107 H10J 0.9600 .
C107 H10K 0.9600 .
C107 H10L 0.9600 .
C109 C110 1.472(16) .
C109 H10M 0.9600 .
C109 H10N 0.9600 .
C109 H10O 0.9600 .
C111 C112 1.497(16) .
C111 H11D 0.9600 .
C111 H11E 0.9600 .
C111 H11F 0.9600 .
C113 C114 1.509(18) .
C113 H11G 0.9600 .
C113 H11H 0.9600 .
C113 H11I 0.9600 .
C115 C116 1.516(18) .
C115 H11J 0.9600 .
C115 H11K 0.9600 .
C115 H11L 0.9600 .
C117 C118 1.521(17) .
C117 H11M 0.9600 .
C117 H11N 0.9600 .
C117 H11O 0.9600 .
C119 C120 1.505(17) .
C119 H11P 0.9600 .
C119 H11Q 0.9600 .
C119 H11R 0.9600 .
C121 C122 1.514(17) .
C121 H12B 0.9600 .
C121 H12C 0.9600 .
C121 H12D 0.9600 .
C123 C124 1.534(18) .
C123 H12E 0.9600 .
C123 H12F 0.9600 .
C123 H12G 0.9600 .
C125 C126 1.459(15) .
C125 H12H 0.9600 .
C125 H12I 0.9600 .
C125 H12J 0.9600 .
C127 C128 1.502(16) .
C127 H12K 0.9600 .
C127 H12L 0.9600 .
C127 H12M 0.9600 .
C129 C130 1.458(16) .
C129 H12N 0.9600 .
C129 H12O 0.9600 .
C129 H12P 0.9600 .
C131 C132 1.52(2) .
C131 H13B 0.9600 .
C131 H13C 0.9600 .
C131 H13D 0.9600 .
C133 C134 1.519(17) .
C133 H13E 0.9600 .
C133 H13F 0.9600 .
C133 H13G 0.9600 .
C135 C136 1.57(3) .
C135 H13H 0.9600 .
C135 H13I 0.9600 .
C135 H13J 0.9600 .
C137 C138 1.565(16) .
C137 H13K 0.9600 .
C137 H13L 0.9600 .
C137 H13M 0.9600 .
C138 O22 1.272(14) 3_565
C139 C140 1.522(19) .
C139 H13O 0.9600 .
C139 H13P 0.9600 .
C139 H13Q 0.9600 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.879 0.304 0.088 14307 3811 ' '
