#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019989.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_7019989
loop_
_publ_author_name
'Tan, Bin'
'Xie, Zai-Lai'
'Feng, Mei-Ling'
'Hu, Bing'
'Wu, Zhao-Feng'
'Huang, Xiao-Ying'
_publ_section_title
;
 Ionothermal syntheses, crystal structures and properties of
 three-dimensional rare earth metal-organic frameworks with
 1,4-naphthalenedicarboxylic acid.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10576
_journal_page_last               10584
_journal_paper_doi               10.1039/c2dt30944k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H18 Cl O12 Ce2, C10 H19 N2'
_chemical_formula_sum            'C46 H37 Ce2 Cl N2 O12'
_chemical_formula_weight         1125.47
_space_group_IT_number           14
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 96.0266(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.0206(3)
_cell_length_b                   14.8154(2)
_cell_length_c                   16.1806(3)
_cell_measurement_reflns_used    12389
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8226
_cell_measurement_theta_min      2.4779
_cell_volume                     4296.06(12)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_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  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18726
_diffrn_reflns_theta_full        26.55
_diffrn_reflns_theta_max         26.55
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    2.222
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.133
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         8921
_refine_ls_number_restraints     379
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0301P)²+4.9529P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0662
_reflns_number_gt                7218
_reflns_number_total             8921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30944k.txt
_cod_data_source_block           compound-2
_cod_original_cell_volume        4296.05(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7019989
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.378059(9) 0.025211(12) -0.005556(10) 0.01596(5) Uani 1 1 d . . .
Ce2 Ce 0.114910(9) 0.013498(12) -0.001187(11) 0.01647(5) Uani 1 1 d . . .
Cl1 Cl 0.25182(4) -0.08876(6) 0.02308(6) 0.0337(2) Uani 1 1 d . . .
O1 O 0.44827(13) 0.13195(19) -0.07843(18) 0.0416(7) Uani 1 1 d . . .
O2 O 0.57120(14) 0.11238(18) -0.06065(18) 0.0414(7) Uani 1 1 d . . .
O3 O 0.31588(14) 0.1357(2) 0.07472(19) 0.0480(8) Uani 1 1 d . . .
O5 O 0.47701(15) 0.4321(2) -0.40076(18) 0.0498(8) Uani 1 1 d . . .
O4 O 0.19574(13) 0.13934(18) 0.02984(17) 0.0376(7) Uani 1 1 d . . .
O6 O 0.59980(15) 0.4314(2) -0.37726(17) 0.0477(8) Uani 1 1 d . . .
O7 O 0.28305(13) 0.43157(19) 0.38866(16) 0.0377(7) Uani 1 1 d . . .
O8 O 0.16016(12) 0.44828(18) 0.36526(14) 0.0314(6) Uani 1 1 d . . .
O9 O 0.06214(14) 0.10088(19) 0.10954(17) 0.0415(7) Uani 1 1 d . . .
O10 O -0.06236(14) 0.10581(19) 0.08978(18) 0.0424(7) Uani 1 1 d . . .
O11 O 0.00408(14) 0.41606(18) 0.43284(16) 0.0364(6) Uani 1 1 d . . .
O12 O -0.11270(14) 0.4108(2) 0.37873(18) 0.0496(8) Uani 1 1 d . . .
C1 C 0.51324(18) 0.1507(2) -0.0928(2) 0.0287(8) Uani 1 1 d . . .
C2 C 0.52130(17) 0.2236(2) -0.1564(2) 0.0259(8) Uani 1 1 d . . .
C3 C 0.47212(19) 0.2227(3) -0.2270(2) 0.0344(9) Uani 1 1 d . . .
H3A H 0.4348 0.1792 -0.2326 0.041 Uiso 1 1 calc R . .
C4 C 0.47662(19) 0.2857(3) -0.2906(2) 0.0335(9) Uani 1 1 d . . .
H4A H 0.4420 0.2838 -0.3375 0.040 Uiso 1 1 calc R . .
C5 C 0.53120(18) 0.3498(2) -0.2847(2) 0.0265(8) Uani 1 1 d . . .
C6 C 0.58299(17) 0.3560(2) -0.2112(2) 0.0236(7) Uani 1 1 d . . .
C7 C 0.57832(17) 0.2909(2) -0.1470(2) 0.0244(7) Uani 1 1 d . . .
C8 C 0.6300(2) 0.2975(3) -0.0747(2) 0.0343(9) Uani 1 1 d . . .
H8A H 0.6289 0.2546 -0.0329 0.041 Uiso 1 1 calc R . .
C9 C 0.6809(2) 0.3650(3) -0.0654(3) 0.0440(10) Uani 1 1 d . . .
H9A H 0.7141 0.3679 -0.0174 0.053 Uiso 1 1 calc R . .
C10 C 0.6839(2) 0.4301(3) -0.1273(3) 0.0421(10) Uani 1 1 d . . .
H10A H 0.7186 0.4767 -0.1198 0.051 Uiso 1 1 calc R . .
C11 C 0.6368(2) 0.4261(3) -0.1983(2) 0.0334(9) Uani 1 1 d . . .
H11A H 0.6397 0.4699 -0.2391 0.040 Uiso 1 1 calc R . .
C12 C 0.5362(2) 0.4095(3) -0.3591(2) 0.0324(9) Uani 1 1 d . . .
C13 C 0.25128(19) 0.1670(2) 0.0758(2) 0.0302(8) Uani 1 1 d . . .
C14 C 0.24047(18) 0.2387(2) 0.1394(2) 0.0281(8) Uani 1 1 d . . .
C15 C 0.2843(2) 0.2319(3) 0.2136(3) 0.0393(10) Uani 1 1 d . . .
H15A H 0.3201 0.1865 0.2207 0.047 Uiso 1 1 calc R . .
C16 C 0.2765(2) 0.2917(3) 0.2789(2) 0.0375(10) Uani 1 1 d . . .
H16A H 0.3077 0.2860 0.3282 0.045 Uiso 1 1 calc R . .
C17 C 0.22375(17) 0.3585(2) 0.2719(2) 0.0233(7) Uani 1 1 d . . .
C18 C 0.17671(16) 0.3689(2) 0.1957(2) 0.0212(7) Uani 1 1 d . . .
C19 C 0.18616(17) 0.3091(2) 0.1279(2) 0.0235(7) Uani 1 1 d . . .
C20 C 0.1427(2) 0.3249(3) 0.0511(2) 0.0349(9) Uani 1 1 d . . .
H20A H 0.1487 0.2875 0.0061 0.042 Uiso 1 1 calc R . .
C21 C 0.0927(2) 0.3933(3) 0.0417(2) 0.0403(10) Uani 1 1 d . . .
H21A H 0.0653 0.4027 -0.0096 0.048 Uiso 1 1 calc R . .
C22 C 0.0819(2) 0.4496(3) 0.1083(3) 0.0403(10) Uani 1 1 d . . .
H22A H 0.0467 0.4956 0.1013 0.048 Uiso 1 1 calc R . .
C23 C 0.12217(18) 0.4384(2) 0.1834(2) 0.0270(8) Uani 1 1 d . . .
H23A H 0.1140 0.4765 0.2272 0.032 Uiso 1 1 calc R . .
C24 C 0.22129(17) 0.4179(2) 0.3472(2) 0.0239(7) Uani 1 1 d . . .
C25 C 0.0004(2) 0.1337(3) 0.1218(2) 0.0324(9) Uani 1 1 d . . .
C26 C -0.00218(18) 0.2117(2) 0.1799(2) 0.0281(8) Uani 1 1 d . . .
C27 C 0.0364(2) 0.2058(3) 0.2568(3) 0.0391(10) Uani 1 1 d . . .
H27A H 0.0705 0.1591 0.2681 0.047 Uiso 1 1 calc R . .
C28 C 0.0257(2) 0.2689(3) 0.3194(2) 0.0375(9) Uani 1 1 d . . .
H28A H 0.0525 0.2635 0.3714 0.045 Uiso 1 1 calc R . .
C29 C -0.02417(19) 0.3383(3) 0.3042(2) 0.0298(8) Uani 1 1 d . . .
C30 C -0.05941(19) 0.3531(2) 0.2220(2) 0.0279(8) Uani 1 1 d . . .
C31 C -0.04859(19) 0.2884(3) 0.1593(2) 0.0299(8) Uani 1 1 d . . .
C32 C -0.0818(2) 0.3040(3) 0.0774(2) 0.0417(10) Uani 1 1 d . . .
H32A H -0.0762 0.2618 0.0359 0.050 Uiso 1 1 calc R . .
C33 C -0.1217(3) 0.3804(4) 0.0592(3) 0.0576(13) Uani 1 1 d . . .
H33A H -0.1425 0.3905 0.0049 0.069 Uiso 1 1 calc R . .
C34 C -0.1319(3) 0.4433(4) 0.1200(3) 0.0590(13) Uani 1 1 d . . .
H34A H -0.1592 0.4953 0.1056 0.071 Uiso 1 1 calc R . .
C35 C -0.1031(2) 0.4310(3) 0.2003(3) 0.0432(10) Uani 1 1 d . . .
H35A H -0.1118 0.4732 0.2407 0.052 Uiso 1 1 calc R . .
C36 C -0.0454(2) 0.3928(3) 0.3749(2) 0.0326(9) Uani 1 1 d . . .
N1A N 0.2377(7) -0.2679(8) 0.2812(6) 0.0617(15) Uani 0.562(6) 1 d PDU A 1
N2A N 0.3064(9) -0.1503(10) 0.2671(9) 0.0706(14) Uani 0.562(6) 1 d PDU A 1
C37A C 0.2889(6) -0.2642(8) 0.3476(7) 0.0628(18) Uani 0.562(6) 1 d PDU A 1
H37A H 0.2939 -0.3046 0.3918 0.075 Uiso 0.562(6) 1 calc PR A 1
C38A C 0.3335(8) -0.1878(9) 0.3378(8) 0.0739(18) Uani 0.562(6) 1 d PDU A 1
H38A H 0.3738 -0.1679 0.3738 0.089 Uiso 0.562(6) 1 calc PR A 1
C39A C 0.2531(11) -0.2056(12) 0.2279(10) 0.0563(14) Uani 0.562(6) 1 d PDU A 1
H39A H 0.2317 -0.2002 0.1733 0.068 Uiso 0.562(6) 1 calc PR A 1
C40A C 0.1830(7) -0.3370(9) 0.2628(8) 0.085(3) Uani 0.562(6) 1 d PDU A 1
H40A H 0.1497 -0.3196 0.2152 0.128 Uiso 0.562(6) 1 calc PR A 1
H40B H 0.1551 -0.3452 0.3097 0.128 Uiso 0.562(6) 1 calc PR A 1
H40C H 0.2074 -0.3925 0.2513 0.128 Uiso 0.562(6) 1 calc PR A 1
C41A C 0.3332(8) -0.0684(8) 0.2288(7) 0.0909(19) Uani 0.562(6) 1 d PDU A 1
H41A H 0.2915 -0.0313 0.2067 0.109 Uiso 0.562(6) 1 calc PR A 1
H41B H 0.3623 -0.0841 0.1837 0.109 Uiso 0.562(6) 1 calc PR A 1
C43A C 0.3265(8) 0.0294(9) 0.3517(9) 0.130(2) Uani 0.562(6) 1 d PDU A 1
H43A H 0.2844 0.0559 0.3180 0.156 Uiso 0.562(6) 1 calc PR A 1
H43B H 0.3077 -0.0138 0.3896 0.156 Uiso 0.562(6) 1 calc PR A 1
C42A C 0.3802(8) -0.0189(9) 0.2947(8) 0.117(2) Uani 0.562(6) 1 d PDU A 1
H42A H 0.4108 0.0254 0.2700 0.140 Uiso 0.562(6) 1 calc PR A 1
H42B H 0.4129 -0.0606 0.3273 0.140 Uiso 0.562(6) 1 calc PR A 1
C44A C 0.3720(10) 0.1030(9) 0.4005(8) 0.153(3) Uani 0.562(6) 1 d PDU A 1
H44A H 0.4028 0.1317 0.3624 0.183 Uiso 0.562(6) 1 calc PR A 1
H44B H 0.3369 0.1483 0.4157 0.183 Uiso 0.562(6) 1 calc PR A 1
C45A C 0.4229(9) 0.0797(11) 0.4794(9) 0.161(3) Uani 0.562(6) 1 d PDU A 1
H45A H 0.4190 0.0159 0.4913 0.193 Uiso 0.562(6) 1 calc PR A 1
H45D H 0.4743 0.0926 0.4709 0.193 Uiso 0.562(6) 1 calc PR A 1
C46A C 0.4010(11) 0.1346(13) 0.5528(8) 0.181(5) Uani 0.562(6) 1 d PDU A 1
H46A H 0.4316 0.1171 0.6024 0.272 Uiso 0.562(6) 1 calc PR A 1
H46B H 0.3495 0.1236 0.5598 0.272 Uiso 0.562(6) 1 calc PR A 1
H46C H 0.4081 0.1976 0.5425 0.272 Uiso 0.562(6) 1 calc PR A 1
N2B N 0.3122(12) -0.1641(13) 0.2743(12) 0.0706(14) Uani 0.438(6) 1 d PDU A 2
N1B N 0.2279(10) -0.2686(10) 0.2560(8) 0.0617(15) Uani 0.438(6) 1 d PDU A 2
C40B C 0.1711(9) -0.3233(12) 0.2146(10) 0.085(3) Uani 0.438(6) 1 d PDU A 2
H40D H 0.1608 -0.3034 0.1580 0.128 Uiso 0.438(6) 1 calc PR A 2
H40E H 0.1266 -0.3185 0.2422 0.128 Uiso 0.438(6) 1 calc PR A 2
H40F H 0.1874 -0.3850 0.2154 0.128 Uiso 0.438(6) 1 calc PR A 2
C37B C 0.2634(8) -0.2786(10) 0.3330(9) 0.0628(18) Uani 0.438(6) 1 d PDU A 2
H37B H 0.2531 -0.3218 0.3719 0.075 Uiso 0.438(6) 1 calc PR A 2
C38B C 0.3188(10) -0.2121(12) 0.3435(10) 0.0739(18) Uani 0.438(6) 1 d PDU A 2
H38B H 0.3532 -0.2035 0.3898 0.089 Uiso 0.438(6) 1 calc PR A 2
C41B C 0.3588(8) -0.0877(8) 0.2540(11) 0.0909(19) Uani 0.438(6) 1 d PDU A 2
H41C H 0.3745 -0.0964 0.1991 0.109 Uiso 0.438(6) 1 calc PR A 2
H41D H 0.4031 -0.0853 0.2935 0.109 Uiso 0.438(6) 1 calc PR A 2
C42B C 0.3160(9) 0.0023(10) 0.2564(10) 0.117(2) Uani 0.438(6) 1 d PDU A 2
H42C H 0.2696 -0.0010 0.2816 0.140 Uiso 0.438(6) 1 calc PR A 2
H42D H 0.3105 0.0354 0.2044 0.140 Uiso 0.438(6) 1 calc PR A 2
C39B C 0.2514(15) -0.1936(15) 0.2245(13) 0.0563(14) Uani 0.438(6) 1 d PDU A 2
H39B H 0.2303 -0.1653 0.1763 0.068 Uiso 0.438(6) 1 calc PR A 2
C44B C 0.3793(13) 0.0463(12) 0.4048(9) 0.153(3) Uani 0.438(6) 1 d PDU A 2
H44C H 0.4292 0.0304 0.4287 0.183 Uiso 0.438(6) 1 calc PR A 2
H44D H 0.3488 -0.0044 0.4185 0.183 Uiso 0.438(6) 1 calc PR A 2
C43B C 0.3854(10) 0.0281(13) 0.3166(10) 0.130(2) Uani 0.438(6) 1 d PDU A 2
H43C H 0.4215 -0.0203 0.3143 0.156 Uiso 0.438(6) 1 calc PR A 2
H43D H 0.4071 0.0814 0.2939 0.156 Uiso 0.438(6) 1 calc PR A 2
C45B C 0.3580(10) 0.1164(14) 0.4689(12) 0.161(3) Uani 0.438(6) 1 d PDU A 2
H45B H 0.3238 0.0899 0.5046 0.193 Uiso 0.438(6) 1 calc PR A 2
H45C H 0.3339 0.1680 0.4407 0.193 Uiso 0.438(6) 1 calc PR A 2
C46B C 0.4320(13) 0.1466(17) 0.5219(12) 0.181(5) Uani 0.438(6) 1 d PDU A 2
H46G H 0.4218 0.1974 0.5558 0.272 Uiso 0.438(6) 1 calc PR A 2
H46D H 0.4684 0.1632 0.4854 0.272 Uiso 0.438(6) 1 calc PR A 2
H46E H 0.4508 0.0976 0.5568 0.272 Uiso 0.438(6) 1 calc PR A 2
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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
O7 Ce1 O1 81.17(9) 4_565 .
O7 Ce1 O5 149.13(10) 4_565 4_566
O1 Ce1 O5 77.55(10) . 4_566
O7 Ce1 O6 75.88(10) 4_565 2_644
O1 Ce1 O6 81.68(11) . 2_644
O5 Ce1 O6 122.10(10) 4_566 2_644
O7 Ce1 O3 82.30(10) 4_565 .
O1 Ce1 O3 96.57(11) . .
O5 Ce1 O3 78.24(9) 4_566 .
O6 Ce1 O3 158.13(10) 2_644 .
O7 Ce1 O2 138.63(10) 4_565 3_655
O1 Ce1 O2 124.91(8) . 3_655
O5 Ce1 O2 72.23(10) 4_566 3_655
O6 Ce1 O2 77.20(10) 2_644 3_655
O3 Ce1 O2 120.04(11) . 3_655
O7 Ce1 Cl1 75.82(6) 4_565 .
O1 Ce1 Cl1 156.71(7) . .
O5 Ce1 Cl1 124.96(8) 4_566 .
O6 Ce1 Cl1 89.27(8) 2_644 .
O3 Ce1 Cl1 83.92(7) . .
O2 Ce1 Cl1 73.02(6) 3_655 .
O4 Ce2 O11 102.40(9) . 4_565
O4 Ce2 O10 153.17(9) . 3
O11 Ce2 O10 78.32(10) 4_565 3
O4 Ce2 O8 75.71(9) . 4_565
O11 Ce2 O8 81.15(8) 4_565 4_565
O10 Ce2 O8 77.96(9) 3 4_565
O4 Ce2 O9 73.27(8) . .
O11 Ce2 O9 74.35(9) 4_565 .
O10 Ce2 O9 131.08(8) 3 .
O8 Ce2 O9 134.73(10) 4_565 .
O4 Ce2 O12 111.63(10) . 2_545
O11 Ce2 O12 122.31(8) 4_565 2_545
O10 Ce2 O12 89.26(11) 3 2_545
O8 Ce2 O12 150.69(9) 4_565 2_545
O9 Ce2 O12 72.90(10) . 2_545
O4 Ce2 Cl1 83.53(7) . .
O11 Ce2 Cl1 161.32(7) 4_565 .
O10 Ce2 Cl1 88.44(7) 3 .
O8 Ce2 Cl1 83.26(6) 4_565 .
O9 Ce2 Cl1 124.26(7) . .
O12 Ce2 Cl1 69.98(6) 2_545 .
O4 Ce2 O11 140.21(8) . 2_545
O11 Ce2 O11 76.83(8) 4_565 2_545
O10 Ce2 O11 66.48(8) 3 2_545
O8 Ce2 O11 141.09(8) 4_565 2_545
O9 Ce2 O11 68.23(8) . 2_545
O12 Ce2 O11 47.24(7) 2_545 2_545
Cl1 Ce2 O11 110.04(5) . 2_545
O4 Ce2 C36 126.59(10) . 2_545
O11 Ce2 C36 99.77(9) 4_565 2_545
O10 Ce2 C36 78.85(10) 3 2_545
O8 Ce2 C36 156.09(10) 4_565 2_545
O9 Ce2 C36 67.04(10) . 2_545
O12 Ce2 C36 23.05(8) 2_545 2_545
Cl1 Ce2 C36 90.38(7) . 2_545
O11 Ce2 C36 24.31(8) 2_545 2_545
Ce2 Cl1 Ce1 110.19(3) . .
C1 O1 Ce1 142.0(2) . .
C1 O2 Ce1 145.1(2) . 3_655
C13 O3 Ce1 137.3(2) . .
C12 O5 Ce1 168.0(3) . 4_565
C13 O4 Ce2 144.4(3) . .
C12 O6 Ce1 124.2(2) . 2_654
C24 O7 Ce1 163.7(2) . 4_566
C24 O8 Ce2 132.1(2) . 4_566
C25 O9 Ce2 137.2(2) . .
C25 O10 Ce2 139.8(2) . 3
C36 O11 Ce2 158.6(3) . 4_566
C36 O11 Ce2 85.8(2) . 2
Ce2 O11 Ce2 103.17(8) 4_566 2
C36 O12 Ce2 105.4(2) . 2
O1 C1 O2 125.4(3) . .
O1 C1 C2 116.5(3) . .
O2 C1 C2 118.1(3) . .
C3 C2 C7 119.4(3) . .
C3 C2 C1 117.5(3) . .
C7 C2 C1 123.1(3) . .
C2 C3 C4 121.7(3) . .
C2 C3 H3A 119.2 . .
C4 C3 H3A 119.2 . .
C5 C4 C3 120.7(3) . .
C5 C4 H4A 119.7 . .
C3 C4 H4A 119.7 . .
C4 C5 C6 120.3(3) . .
C4 C5 C12 117.2(3) . .
C6 C5 C12 122.5(3) . .
C11 C6 C7 118.7(3) . .
C11 C6 C5 122.8(3) . .
C7 C6 C5 118.5(3) . .
C8 C7 C6 118.0(3) . .
C8 C7 C2 122.5(3) . .
C6 C7 C2 119.4(3) . .
C9 C8 C7 121.3(4) . .
C9 C8 H8A 119.3 . .
C7 C8 H8A 119.3 . .
C8 C9 C10 120.5(4) . .
C8 C9 H9A 119.8 . .
C10 C9 H9A 119.8 . .
C11 C10 C9 120.6(4) . .
C11 C10 H10A 119.7 . .
C9 C10 H10A 119.7 . .
C10 C11 C6 120.9(4) . .
C10 C11 H11A 119.6 . .
C6 C11 H11A 119.6 . .
O5 C12 O6 123.7(3) . .
O5 C12 C5 118.1(3) . .
O6 C12 C5 118.1(3) . .
O4 C13 O3 123.8(3) . .
O4 C13 C14 119.0(3) . .
O3 C13 C14 117.2(3) . .
C15 C14 C19 119.5(3) . .
C15 C14 C13 116.3(3) . .
C19 C14 C13 124.2(3) . .
C14 C15 C16 121.4(3) . .
C14 C15 H15A 119.3 . .
C16 C15 H15A 119.3 . .
C17 C16 C15 121.4(3) . .
C17 C16 H16A 119.3 . .
C15 C16 H16A 119.3 . .
C16 C17 C18 119.6(3) . .
C16 C17 C24 115.7(3) . .
C18 C17 C24 124.7(3) . .
C23 C18 C17 122.5(3) . .
C23 C18 C19 118.4(3) . .
C17 C18 C19 119.1(3) . .
C20 C19 C14 122.9(3) . .
C20 C19 C18 118.1(3) . .
C14 C19 C18 119.0(3) . .
C21 C20 C19 121.5(4) . .
C21 C20 H20A 119.3 . .
C19 C20 H20A 119.3 . .
C20 C21 C22 120.4(4) . .
C20 C21 H21A 119.8 . .
C22 C21 H21A 119.8 . .
C23 C22 C21 121.0(4) . .
C23 C22 H22A 119.5 . .
C21 C22 H22A 119.5 . .
C22 C23 C18 120.6(3) . .
C22 C23 H23A 119.7 . .
C18 C23 H23A 119.7 . .
O8 C24 O7 124.8(3) . .
O8 C24 C17 120.0(3) . .
O7 C24 C17 115.3(3) . .
O9 C25 O10 125.5(3) . .
O9 C25 C26 119.3(3) . .
O10 C25 C26 115.2(3) . .
C27 C26 C31 119.6(3) . .
C27 C26 C25 118.5(4) . .
C31 C26 C25 121.7(3) . .
C26 C27 C28 121.3(4) . .
C26 C27 H27A 119.4 . .
C28 C27 H27A 119.4 . .
C29 C28 C27 120.5(4) . .
C29 C28 H28A 119.8 . .
C27 C28 H28A 119.8 . .
C28 C29 C30 120.0(3) . .
C28 C29 C36 119.2(3) . .
C30 C29 C36 120.6(3) . .
C35 C30 C31 119.0(4) . .
C35 C30 C29 122.3(3) . .
C31 C30 C29 118.7(3) . .
C32 C31 C30 118.8(4) . .
C32 C31 C26 121.8(4) . .
C30 C31 C26 119.3(3) . .
C33 C32 C31 120.1(4) . .
C33 C32 H32A 119.9 . .
C31 C32 H32A 119.9 . .
C32 C33 C34 121.0(4) . .
C32 C33 H33A 119.5 . .
C34 C33 H33A 119.5 . .
C35 C34 C33 121.6(5) . .
C35 C34 H34A 119.2 . .
C33 C34 H34A 119.2 . .
C34 C35 C30 119.4(4) . .
C34 C35 H35A 120.3 . .
C30 C35 H35A 120.3 . .
O12 C36 O11 121.0(3) . .
O12 C36 C29 118.9(3) . .
O11 C36 C29 119.9(3) . .
O12 C36 Ce2 51.59(18) . 2
O11 C36 Ce2 69.89(19) . 2
C29 C36 Ce2 169.7(3) . 2
C39A N1A C37A 108.9(10) . .
C39A N1A C40A 123.7(9) . .
C37A N1A C40A 126.5(8) . .
C38A N2A C39A 109.1(7) . .
C38A N2A C41A 127.3(9) . .
C39A N2A C41A 123.2(7) . .
N1A C37A C38A 107.2(10) . .
N1A C37A H37A 126.4 . .
C38A C37A H37A 126.4 . .
N2A C38A C37A 105.8(8) . .
N2A C38A H38A 127.1 . .
C37A C38A H38A 127.1 . .
N1A C39A N2A 107.7(8) . .
N1A C39A H39A 126.2 . .
N2A C39A H39A 126.2 . .
N2A C41A C42A 107.1(11) . .
N2A C41A H41A 110.3 . .
C42A C41A H41A 110.3 . .
N2A C41A H41B 110.3 . .
C42A C41A H41B 110.3 . .
H41A C41A H41B 108.5 . .
C44A C43A C42A 107.2(10) . .
C44A C43A H43A 110.3 . .
C42A C43A H43A 110.3 . .
C44A C43A H43B 110.3 . .
C42A C43A H43B 110.3 . .
H43A C43A H43B 108.5 . .
C41A C42A C43A 107.8(11) . .
C41A C42A H42A 110.1 . .
C43A C42A H42A 110.1 . .
C41A C42A H42B 110.1 . .
C43A C42A H42B 110.1 . .
H42A C42A H42B 108.5 . .
C45A C44A C43A 120.7(11) . .
C45A C44A H44A 107.2 . .
C43A C44A H44A 107.2 . .
C45A C44A H44B 107.2 . .
C43A C44A H44B 107.2 . .
H44A C44A H44B 106.8 . .
C46A C45A C44A 110.3(10) . .
C46A C45A H45A 109.6 . .
C44A C45A H45A 109.6 . .
C46A C45A H45D 109.6 . .
C44A C45A H45D 109.6 . .
H45A C45A H45D 108.1 . .
C45A C46A H46A 109.5 . .
C45A C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C45A C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C38B N2B C39B 109.0(8) . .
C38B N2B C41B 127.0(11) . .
C39B N2B C41B 123.9(9) . .
C39B N1B C37B 108.1(13) . .
C39B N1B C40B 123.2(12) . .
C37B N1B C40B 128.6(10) . .
N1B C40B H40D 109.5 . .
N1B C40B H40E 109.5 . .
H40D C40B H40E 109.5 . .
N1B C40B H40F 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
N1B C37B C38B 107.3(13) . .
N1B C37B H37B 126.3 . .
C38B C37B H37B 126.3 . .
N2B C38B C37B 106.0(10) . .
N2B C38B H38B 127.0 . .
C37B C38B H38B 127.0 . .
N2B C41B C42B 111.3(15) . .
N2B C41B C43B 130.8(14) . .
C42B C41B C43B 49.3(7) . .
N2B C41B H41C 109.4 . .
C42B C41B H41C 109.4 . .
C43B C41B H41C 119.6 . .
N2B C41B H41D 109.4 . .
C42B C41B H41D 109.4 . .
C43B C41B H41D 60.3 . .
H41C C41B H41D 108.0 . .
C41B C42B C43B 81.8(11) . .
C41B C42B H42C 115.0 . .
C43B C42B H42C 115.0 . .
C41B C42B H42D 115.0 . .
C43B C42B H42D 115.0 . .
H42C C42B H42D 112.0 . .
N1B C39B N2B 108.3(11) . .
N1B C39B H39B 125.9 . .
N2B C39B H39B 125.9 . .
C43B C44B C45B 145.7(17) . .
C43B C44B H44C 100.4 . .
C45B C44B H44C 100.4 . .
C43B C44B H44D 100.4 . .
C45B C44B H44D 100.4 . .
H44C C44B H44D 104.3 . .
C44B C43B C42B 121.2(13) . .
C44B C43B C41B 127.2(14) . .
C42B C43B C41B 48.9(6) . .
C44B C43B H43C 107.0 . .
C42B C43B H43C 107.0 . .
C41B C43B H43C 58.7 . .
C44B C43B H43D 107.0 . .
C42B C43B H43D 107.0 . .
C41B C43B H43D 125.8 . .
H43C C43B H43D 106.8 . .
C44B C45B C46B 107.5(10) . .
C44B C45B H45B 110.2 . .
C46B C45B H45B 110.2 . .
C44B C45B H45C 110.2 . .
C46B C45B H45C 110.2 . .
H45B C45B H45C 108.5 . .
C45B C46B H46G 109.5 . .
C45B C46B H46D 109.5 . .
H46G C46B H46D 109.5 . .
C45B C46B H46E 109.5 . .
H46G C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O7 2.378(2) 4_565
Ce1 O1 2.409(2) .
Ce1 O5 2.413(2) 4_566
Ce1 O6 2.418(3) 2_644
Ce1 O3 2.435(2) .
Ce1 O2 2.436(2) 3_655
Ce1 Cl1 2.9091(8) .
Ce2 O4 2.387(2) .
Ce2 O11 2.402(2) 4_565
Ce2 O10 2.406(2) 3
Ce2 O8 2.455(2) 4_565
Ce2 O9 2.480(2) .
Ce2 O12 2.502(3) 2_545
Ce2 Cl1 2.8867(8) .
Ce2 O11 2.899(3) 2_545
Ce2 C36 3.079(4) 2_545
O1 C1 1.249(4) .
O2 C1 1.253(4) .
O2 Ce1 2.436(2) 3_655
O3 C13 1.255(4) .
O5 C12 1.246(4) .
O5 Ce1 2.413(2) 4_565
O4 C13 1.252(4) .
O6 C12 1.256(4) .
O6 Ce1 2.418(3) 2_654
O7 C24 1.254(4) .
O7 Ce1 2.378(2) 4_566
O8 C24 1.253(4) .
O8 Ce2 2.455(2) 4_566
O9 C25 1.249(4) .
O10 C25 1.264(4) .
O10 Ce2 2.406(2) 3
O11 C36 1.271(4) .
O11 Ce2 2.402(2) 4_566
O11 Ce2 2.899(3) 2
O12 C36 1.250(4) .
O12 Ce2 2.502(3) 2
C1 C2 1.509(5) .
C2 C3 1.369(5) .
C2 C7 1.428(5) .
C3 C4 1.397(5) .
C3 H3A 0.9300 .
C4 C5 1.364(5) .
C4 H4A 0.9300 .
C5 C6 1.436(4) .
C5 C12 1.504(5) .
C6 C11 1.421(5) .
C6 C7 1.426(5) .
C7 C8 1.420(5) .
C8 C9 1.355(5) .
C8 H8A 0.9300 .
C9 C10 1.396(6) .
C9 H9A 0.9300 .
C10 C11 1.357(5) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C13 C14 1.506(5) .
C14 C15 1.370(5) .
C14 C19 1.429(5) .
C15 C16 1.398(5) .
C15 H15A 0.9300 .
C16 C17 1.368(5) .
C16 H16A 0.9300 .
C17 C18 1.429(4) .
C17 C24 1.508(4) .
C18 C23 1.423(5) .
C18 C19 1.434(4) .
C19 C20 1.417(5) .
C20 C21 1.354(5) .
C20 H20A 0.9300 .
C21 C22 1.394(5) .
C21 H21A 0.9300 .
C22 C23 1.358(5) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C25 C26 1.493(5) .
C26 C27 1.363(5) .
C26 C31 1.430(5) .
C27 C28 1.407(5) .
C27 H27A 0.9300 .
C28 C29 1.371(5) .
C28 H28A 0.9300 .
C29 C30 1.429(5) .
C29 C36 1.483(5) .
C30 C35 1.420(5) .
C30 C31 1.424(5) .
C31 C32 1.414(5) .
C32 C33 1.357(6) .
C32 H32A 0.9300 .
C33 C34 1.381(7) .
C33 H33A 0.9300 .
C34 C35 1.361(6) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C36 Ce2 3.079(4) 2
N1A C39A 1.311(7) .
N1A C37A 1.341(7) .
N1A C40A 1.432(9) .
N2A C38A 1.319(7) .
N2A C39A 1.367(9) .
N2A C41A 1.467(9) .
C37A C38A 1.407(10) .
C37A H37A 0.9300 .
C38A H38A 0.9300 .
C39A H39A 0.9300 .
C40A H40A 0.9600 .
C40A H40B 0.9600 .
C40A H40C 0.9600 .
C41A C42A 1.483(9) .
C41A H41A 0.9700 .
C41A H41B 0.9700 .
C43A C44A 1.533(9) .
C43A C42A 1.578(9) .
C43A H43A 0.9700 .
C43A H43B 0.9700 .
C42A H42A 0.9700 .
C42A H42B 0.9700 .
C44A C45A 1.532(9) .
C44A H44A 0.9700 .
C44A H44B 0.9700 .
C45A C46A 1.524(10) .
C45A H45A 0.9700 .
C45A H45D 0.9700 .
C46A H46A 0.9600 .
C46A H46B 0.9600 .
C46A H46C 0.9600 .
N2B C38B 1.321(8) .
N2B C39B 1.361(10) .
N2B C41B 1.467(9) .
N1B C39B 1.313(8) .
N1B C37B 1.348(8) .
N1B C40B 1.418(9) .
C40B H40D 0.9600 .
C40B H40E 0.9600 .
C40B H40F 0.9600 .
C37B C38B 1.400(11) .
C37B H37B 0.9300 .
C38B H38B 0.9300 .
C41B C42B 1.542(10) .
C41B C43B 2.02(2) .
C41B H41C 0.9700 .
C41B H41D 0.9700 .
C42B C43B 1.551(10) .
C42B H42C 0.9700 .
C42B H42D 0.9700 .
C39B H39B 0.9300 .
C44B C43B 1.468(9) .
C44B C45B 1.544(10) .
C44B H44C 0.9700 .
C44B H44D 0.9700 .
C43B H43C 0.9700 .
C43B H43D 0.9700 .
C45B C46B 1.572(10) .
C45B H45B 0.9700 .
C45B H45C 0.9700 .
C46B H46G 0.9600 .
C46B H46D 0.9600 .
C46B H46E 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O4 Ce2 Cl1 Ce1 -24.10(7) . .
O11 Ce2 Cl1 Ce1 85.7(2) 4_565 .
O10 Ce2 Cl1 Ce1 130.26(8) 3 .
O8 Ce2 Cl1 Ce1 52.20(7) 4_565 .
O9 Ce2 Cl1 Ce1 -88.77(8) . .
O12 Ce2 Cl1 Ce1 -139.95(9) 2_545 .
O11 Ce2 Cl1 Ce1 -165.52(6) 2_545 .
C36 Ce2 Cl1 Ce1 -150.91(8) 2_545 .
O7 Ce1 Cl1 Ce2 -40.19(8) 4_565 .
O1 Ce1 Cl1 Ce2 -49.11(19) . .
O5 Ce1 Cl1 Ce2 114.44(9) 4_566 .
O6 Ce1 Cl1 Ce2 -115.80(8) 2_644 .
O3 Ce1 Cl1 Ce2 43.38(8) . .
O2 Ce1 Cl1 Ce2 167.36(8) 3_655 .
O7 Ce1 O1 C1 -153.7(5) 4_565 .
O5 Ce1 O1 C1 48.8(4) 4_566 .
O6 Ce1 O1 C1 -76.8(4) 2_644 .
O3 Ce1 O1 C1 125.2(4) . .
O2 Ce1 O1 C1 -8.8(5) 3_655 .
Cl1 Ce1 O1 C1 -144.9(4) . .
O7 Ce1 O3 C13 28.6(4) 4_565 .
O1 Ce1 O3 C13 108.8(4) . .
O5 Ce1 O3 C13 -175.5(4) 4_566 .
O6 Ce1 O3 C13 24.7(6) 2_644 .
O2 Ce1 O3 C13 -114.2(4) 3_655 .
Cl1 Ce1 O3 C13 -47.8(4) . .
O11 Ce2 O4 C13 156.9(4) 4_565 .
O10 Ce2 O4 C13 -114.5(4) 3 .
O8 Ce2 O4 C13 -125.8(4) 4_565 .
O9 Ce2 O4 C13 87.6(4) . .
O12 Ce2 O4 C13 24.4(4) 2_545 .
Cl1 Ce2 O4 C13 -41.1(4) . .
O11 Ce2 O4 C13 72.7(4) 2_545 .
C36 Ce2 O4 C13 44.6(4) 2_545 .
O4 Ce2 O9 C25 128.8(4) . .
O11 Ce2 O9 C25 20.3(4) 4_565 .
O10 Ce2 O9 C25 -38.1(4) 3 .
O8 Ce2 O9 C25 80.1(4) 4_565 .
O12 Ce2 O9 C25 -111.5(4) 2_545 .
Cl1 Ce2 O9 C25 -161.5(4) . .
O11 Ce2 O9 C25 -61.5(4) 2_545 .
C36 Ce2 O9 C25 -87.8(4) 2_545 .
Ce1 O1 C1 O2 -6.2(7) . .
Ce1 O1 C1 C2 171.6(3) . .
Ce1 O2 C1 O1 23.9(8) 3_655 .
Ce1 O2 C1 C2 -153.9(3) 3_655 .
O1 C1 C2 C3 -42.0(5) . .
O2 C1 C2 C3 136.0(4) . .
O1 C1 C2 C7 139.5(4) . .
O2 C1 C2 C7 -42.5(5) . .
C7 C2 C3 C4 0.6(6) . .
C1 C2 C3 C4 -177.9(4) . .
C2 C3 C4 C5 0.7(6) . .
C3 C4 C5 C6 -2.7(6) . .
C3 C4 C5 C12 174.6(4) . .
C4 C5 C6 C11 -174.3(4) . .
C12 C5 C6 C11 8.5(6) . .
C4 C5 C6 C7 3.3(5) . .
C12 C5 C6 C7 -173.9(3) . .
C11 C6 C7 C8 -2.5(5) . .
C5 C6 C7 C8 179.8(3) . .
C11 C6 C7 C2 175.7(3) . .
C5 C6 C7 C2 -2.0(5) . .
C3 C2 C7 C8 178.3(4) . .
C1 C2 C7 C8 -3.3(6) . .
C3 C2 C7 C6 0.1(5) . .
C1 C2 C7 C6 178.5(3) . .
C6 C7 C8 C9 1.9(6) . .
C2 C7 C8 C9 -176.3(4) . .
C7 C8 C9 C10 -0.1(7) . .
C8 C9 C10 C11 -1.1(7) . .
C9 C10 C11 C6 0.4(6) . .
C7 C6 C11 C10 1.4(6) . .
C5 C6 C11 C10 179.0(4) . .
Ce1 O5 C12 O6 30.8(16) 4_565 .
Ce1 O5 C12 C5 -147.0(12) 4_565 .
Ce1 O6 C12 O5 1.7(6) 2_654 .
Ce1 O6 C12 C5 179.4(2) 2_654 .
C4 C5 C12 O5 35.9(5) . .
C6 C5 C12 O5 -146.8(4) . .
C4 C5 C12 O6 -142.0(4) . .
C6 C5 C12 O6 35.3(6) . .
Ce2 O4 C13 O3 66.1(6) . .
Ce2 O4 C13 C14 -110.8(4) . .
Ce1 O3 C13 O4 4.0(7) . .
Ce1 O3 C13 C14 -179.1(3) . .
O4 C13 C14 C15 144.0(4) . .
O3 C13 C14 C15 -33.2(5) . .
O4 C13 C14 C19 -33.4(6) . .
O3 C13 C14 C19 149.5(4) . .
C19 C14 C15 C16 0.9(6) . .
C13 C14 C15 C16 -176.5(4) . .
C14 C15 C16 C17 1.2(7) . .
C15 C16 C17 C18 -1.4(6) . .
C15 C16 C17 C24 179.8(4) . .
C16 C17 C18 C23 -178.2(3) . .
C24 C17 C18 C23 0.4(5) . .
C16 C17 C18 C19 -0.4(5) . .
C24 C17 C18 C19 178.3(3) . .
C15 C14 C19 C20 175.0(4) . .
C13 C14 C19 C20 -7.7(6) . .
C15 C14 C19 C18 -2.6(5) . .
C13 C14 C19 C18 174.6(3) . .
C23 C18 C19 C20 2.5(5) . .
C17 C18 C19 C20 -175.4(3) . .
C23 C18 C19 C14 -179.7(3) . .
C17 C18 C19 C14 2.4(5) . .
C14 C19 C20 C21 -178.7(4) . .
C18 C19 C20 C21 -1.1(5) . .
C19 C20 C21 C22 -0.8(6) . .
C20 C21 C22 C23 1.2(7) . .
C21 C22 C23 C18 0.3(6) . .
C17 C18 C23 C22 175.6(4) . .
C19 C18 C23 C22 -2.2(5) . .
Ce2 O8 C24 O7 -29.3(6) 4_566 .
Ce2 O8 C24 C17 149.1(3) 4_566 .
Ce1 O7 C24 O8 9.3(12) 4_566 .
Ce1 O7 C24 C17 -169.2(8) 4_566 .
C16 C17 C24 O8 -145.5(4) . .
C18 C17 C24 O8 35.8(5) . .
C16 C17 C24 O7 33.0(5) . .
C18 C17 C24 O7 -145.7(3) . .
Ce2 O9 C25 O10 25.4(7) . .
Ce2 O9 C25 C26 -155.6(3) . .
Ce2 O10 C25 O9 3.7(7) 3 .
Ce2 O10 C25 C26 -175.3(3) 3 .
O9 C25 C26 C27 -50.2(5) . .
O10 C25 C26 C27 128.9(4) . .
O9 C25 C26 C31 135.0(4) . .
O10 C25 C26 C31 -46.0(5) . .
C31 C26 C27 C28 6.6(6) . .
C25 C26 C27 C28 -168.3(4) . .
C26 C27 C28 C29 -0.1(6) . .
C27 C28 C29 C30 -7.0(6) . .
C27 C28 C29 C36 168.1(4) . .
C28 C29 C30 C35 -170.9(4) . .
C36 C29 C30 C35 14.0(5) . .
C28 C29 C30 C31 7.4(5) . .
C36 C29 C30 C31 -167.7(3) . .
C35 C30 C31 C32 0.0(5) . .
C29 C30 C31 C32 -178.4(3) . .
C35 C30 C31 C26 177.4(3) . .
C29 C30 C31 C26 -0.9(5) . .
C27 C26 C31 C32 171.3(4) . .
C25 C26 C31 C32 -13.9(5) . .
C27 C26 C31 C30 -6.0(5) . .
C25 C26 C31 C30 168.8(3) . .
C30 C31 C32 C33 1.4(6) . .
C26 C31 C32 C33 -175.9(4) . .
C31 C32 C33 C34 -1.2(7) . .
C32 C33 C34 C35 -0.5(8) . .
C33 C34 C35 C30 2.0(7) . .
C31 C30 C35 C34 -1.7(6) . .
C29 C30 C35 C34 176.6(4) . .
Ce2 O12 C36 O11 8.8(5) 2 .
Ce2 O12 C36 C29 -175.2(3) 2 .
Ce2 O11 C36 O12 -123.4(6) 4_566 .
Ce2 O11 C36 O12 -7.4(4) 2 .
Ce2 O11 C36 C29 60.7(9) 4_566 .
Ce2 O11 C36 C29 176.8(3) 2 .
Ce2 O11 C36 Ce2 -116.0(7) 4_566 2
C28 C29 C36 O12 -134.6(4) . .
C30 C29 C36 O12 40.6(5) . .
C28 C29 C36 O11 41.4(5) . .
C30 C29 C36 O11 -143.5(4) . .
C28 C29 C36 Ce2 -156.0(13) . 2
C30 C29 C36 Ce2 19.2(17) . 2
C39A N1A C37A C38A 7(2) . .
C40A N1A C37A C38A 176.6(14) . .
C39A N2A C38A C37A -7(2) . .
C41A N2A C38A C37A 179.8(19) . .
N1A C37A C38A N2A 0.4(18) . .
C37A N1A C39A N2A -11(3) . .
C40A N1A C39A N2A 178.5(18) . .
C38A N2A C39A N1A 12(3) . .
C41A N2A C39A N1A -175.0(18) . .
C38A N2A C41A C42A -18(3) . .
C39A N2A C41A C42A 170(2) . .
N2A C41A C42A C43A -76.5(16) . .
C44A C43A C42A C41A -162.1(11) . .
C42A C43A C44A C45A -81.8(16) . .
C43A C44A C45A C46A -122.6(16) . .
C39B N1B C37B C38B -8(3) . .
C40B N1B C37B C38B 175(2) . .
C39B N2B C38B C37B 5(3) . .
C41B N2B C38B C37B -178(2) . .
N1B C37B C38B N2B 2(2) . .
C38B N2B C41B C42B -108(3) . .
C39B N2B C41B C42B 69(4) . .
C38B N2B C41B C43B -54(3) . .
C39B N2B C41B C43B 122(3) . .
N2B C41B C42B C43B 126.2(14) . .
C37B N1B C39B N2B 11(4) . .
C40B N1B C39B N2B -172(2) . .
C38B N2B C39B N1B -10(4) . .
C41B N2B C39B N1B 173(2) . .
C45B C44B C43B C42B -80(3) . .
C45B C44B C43B C41B -140(3) . .
C41B C42B C43B C44B -114.1(19) . .
N2B C41B C43B C44B 18(3) . .
C42B C41B C43B C44B 101.6(18) . .
N2B C41B C43B C42B -83.6(18) . .
C43B C44B C45B C46B -110(3) . .
