#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/26/8102605.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_8102605
loop_
_publ_author_name
'Maria Milanova'
'Joana Zaharieva'
'Bernd Morgenstern'
'Kaspar Hegetschweiler'
'Dimitry Todorovsky'
_publ_section_title
;
 Crystal structure of tetrabuthylammonium
 [tetrakis(dibenzoylmethanato)europium(III)] --- dimethyl sulfoxide
 (1:1), [N(C4H9)4][Eu(C15H11O2)4] · C2H6OS
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              17
_journal_volume                  225
_journal_year                    2010
_chemical_formula_moiety
'2(C60 H44 Eu O8), 2(C16 H36 N), 2(C2 H6 O S)'
_chemical_formula_sum            'C156 H172 Eu2 N2 O18 S2'
_chemical_formula_weight         2731.00
_chemical_name_systematic
; 
Tetrabuthylammonium[tetrakis(dibenzoylmethanato)europate(III)]^.^DMSO
;
_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                 111.5280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.1458(4)
_cell_length_b                   24.4509(5)
_cell_length_c                   28.1465(5)
_cell_measurement_reflns_used    9309
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      31.12
_cell_measurement_theta_min      2.24
_cell_volume                     13537.5(5)
_computing_cell_refinement       'Bruker SMART (Bruker, 2004)'
_computing_data_collection       'Bruker SMART (Bruker, 2004)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2004)'
_computing_molecular_graphics    'Diamond, Vers. 3.1f (Brandenburg, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker X8 Apex, Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega 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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            131406
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    1.016
_exptl_absorpt_correction_T_max  0.8382
_exptl_absorpt_correction_T_min  0.5715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             5696
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.539
_refine_diff_density_min         -1.220
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1710
_refine_ls_number_reflns         29545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0254P)²+27.9281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0922
_reflns_number_gt                22834
_reflns_number_total             29545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2834.cff
_cod_data_source_block           sh2817a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        13537.5(4)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               8102605
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.344007(7) 0.760300(6) 0.116785(5) 0.01786(4) Uani 1 4 e d . . .
O1 O 0.26577(11) 0.82949(9) 0.07032(8) 0.0239(5) Uani 1 4 e d . . .
O2 O 0.30164(11) 0.80755(8) 0.17174(8) 0.0237(5) Uani 1 4 e d . . .
O3 O 0.42284(11) 0.83454(8) 0.15207(8) 0.0226(5) Uani 1 4 e d . . .
O4 O 0.38943(11) 0.79164(8) 0.05629(8) 0.0213(4) Uani 1 4 e d . . .
O5 O 0.27295(11) 0.71604(9) 0.03961(8) 0.0266(5) Uani 1 4 e d . . .
O6 O 0.28052(11) 0.68939(9) 0.13705(8) 0.0240(5) Uani 1 4 e d . . .
O7 O 0.41749(11) 0.73349(8) 0.19999(8) 0.0251(5) Uani 1 4 e d . . .
O8 O 0.40885(11) 0.68126(8) 0.11118(8) 0.0216(4) Uani 1 4 e d . . .
C301 C 0.24746(15) 0.87535(12) 0.08205(12) 0.0230(6) Uani 1 4 e d . . .
C302 C 0.26101(16) 0.89260(13) 0.13236(12) 0.0244(7) Uani 1 4 e d . . .
H302 H 0.2510 0.9293 0.1380 0.029 Uiso 1 4 e calc R . .
C303 C 0.28885(15) 0.85783(12) 0.17476(12) 0.0216(6) Uani 1 4 e d . . .
C304 C 0.44256(15) 0.87434(12) 0.13266(12) 0.0200(6) Uani 1 4 e d . . .
C305 C 0.42584(16) 0.88172(12) 0.07958(12) 0.0215(6) Uani 1 4 e d . . .
H305 H 0.4356 0.9159 0.0677 0.026 Uiso 1 4 e calc R . .
C306 C 0.39558(15) 0.84087(12) 0.04415(11) 0.0191(6) Uani 1 4 e d . . .
C307 C 0.25766(16) 0.66632(14) 0.03096(13) 0.0265(7) Uani 1 4 e d . . .
C308 C 0.25321(16) 0.62858(13) 0.06745(13) 0.0263(7) Uani 1 4 e d . . .
H308 H 0.2420 0.5918 0.0570 0.032 Uiso 1 4 e calc R . .
C309 C 0.26428(15) 0.64208(13) 0.11800(13) 0.0233(7) Uani 1 4 e d . . .
C310 C 0.43387(16) 0.68686(13) 0.21973(12) 0.0230(6) Uani 1 4 e d . . .
C311 C 0.44042(16) 0.63999(13) 0.19276(12) 0.0237(7) Uani 1 4 e d . . .
H311 H 0.4525 0.6064 0.2108 0.028 Uiso 1 4 e calc R . .
C312 C 0.42999(15) 0.64043(12) 0.14061(12) 0.0223(6) Uani 1 4 e d . . .
C101 C 0.20803(17) 0.91140(14) 0.03767(13) 0.0284(7) Uani 1 4 e d . . .
C102 C 0.20836(18) 0.89820(14) -0.01028(13) 0.0305(8) Uani 1 4 e d . . .
H102 H 0.2328 0.8670 -0.0141 0.037 Uiso 1 4 e calc R . .
C103 C 0.1734(2) 0.93004(16) -0.05256(14) 0.0366(9) Uani 1 4 e d . . .
H103 H 0.1746 0.9210 -0.0850 0.044 Uiso 1 4 e calc R . .
C104 C 0.1368(2) 0.97496(17) -0.04740(15) 0.0465(11) Uani 1 4 e d . . .
H104 H 0.1129 0.9968 -0.0763 0.056 Uiso 1 4 e calc R . .
C105 C 0.1350(2) 0.98806(18) -0.00013(16) 0.0489(11) Uani 1 4 e d . . .
H105 H 0.1090 1.0185 0.0032 0.059 Uiso 1 4 e calc R . .
C106 C 0.1712(2) 0.95697(16) 0.04267(14) 0.0382(9) Uani 1 4 e d . . .
H106 H 0.1707 0.9667 0.0752 0.046 Uiso 1 4 e calc R . .
C107 C 0.30536(16) 0.87984(13) 0.22760(12) 0.0232(6) Uani 1 4 e d . . .
C108 C 0.27588(18) 0.92634(14) 0.23879(13) 0.0311(8) Uani 1 4 e d . . .
H108 H 0.2428 0.9461 0.2120 0.037 Uiso 1 4 e calc R . .
C109 C 0.2943(2) 0.94423(15) 0.28877(14) 0.0361(8) Uani 1 4 e d . . .
H109 H 0.2736 0.9759 0.2961 0.043 Uiso 1 4 e calc R . .
C110 C 0.34286(19) 0.91615(15) 0.32803(14) 0.0350(8) Uani 1 4 e d . . .
H110 H 0.3557 0.9287 0.3622 0.042 Uiso 1 4 e calc R . .
C111 C 0.37254(19) 0.86980(16) 0.31740(14) 0.0362(8) Uani 1 4 e d . . .
H111 H 0.4059 0.8504 0.3443 0.043 Uiso 1 4 e calc R . .
C112 C 0.35372(18) 0.85158(14) 0.26754(13) 0.0291(7) Uani 1 4 e d . . .
H112 H 0.3740 0.8195 0.2605 0.035 Uiso 1 4 e calc R . .
C113 C 0.48617(16) 0.91585(12) 0.16981(12) 0.0211(6) Uani 1 4 e d . . .
C114 C 0.53345(18) 0.94811(13) 0.15909(13) 0.0289(7) Uani 1 4 e d . . .
H114 H 0.5367 0.9463 0.1264 0.035 Uiso 1 4 e calc R . .
C115 C 0.57600(19) 0.98304(14) 0.19612(14) 0.0343(8) Uani 1 4 e d . . .
H115 H 0.6087 1.0045 0.1887 0.041 Uiso 1 4 e calc R . .
C116 C 0.57098(19) 0.98673(13) 0.24354(13) 0.0336(8) Uani 1 4 e d . . .
H116 H 0.6002 1.0105 0.2688 0.040 Uiso 1 4 e calc R . .
C117 C 0.52297(19) 0.95556(13) 0.25398(13) 0.0320(8) Uani 1 4 e d . . .
H117 H 0.5186 0.9586 0.2863 0.038 Uiso 1 4 e calc R . .
C118 C 0.48134(17) 0.92002(13) 0.21759(12) 0.0267(7) Uani 1 4 e d . . .
H118 H 0.4492 0.8983 0.2254 0.032 Uiso 1 4 e calc R . .
C119 C 0.36736(16) 0.85307(13) -0.01211(12) 0.0225(6) Uani 1 4 e d . . .
C120 C 0.32777(18) 0.81303(14) -0.04425(12) 0.0296(7) Uani 1 4 e d . . .
H120 H 0.3243 0.7781 -0.0307 0.036 Uiso 1 4 e calc R . .
C121 C 0.2932(2) 0.82296(17) -0.09586(14) 0.0388(9) Uani 1 4 e d . . .
H121 H 0.2661 0.7951 -0.1174 0.047 Uiso 1 4 e calc R . .
C122 C 0.2984(2) 0.87356(17) -0.11567(14) 0.0405(9) Uani 1 4 e d . . .
H122 H 0.2742 0.8809 -0.1508 0.049 Uiso 1 4 e calc R . .
C123 C 0.3387(2) 0.91365(15) -0.08466(14) 0.0361(8) Uani 1 4 e d . . .
H123 H 0.3431 0.9481 -0.0988 0.043 Uiso 1 4 e calc R . .
C124 C 0.37293(18) 0.90392(14) -0.03291(13) 0.0281(7) Uani 1 4 e d . . .
H124 H 0.4001 0.9318 -0.0116 0.034 Uiso 1 4 e calc R . .
C125 C 0.24247(17) 0.64701(14) -0.02291(13) 0.0287(7) Uani 1 4 e d . . .
C126 C 0.24605(19) 0.59282(16) -0.03600(14) 0.0360(8) Uani 1 4 e d . . .
H126 H 0.2585 0.5656 -0.0101 0.043 Uiso 1 4 e calc R . .
C127 C 0.2317(2) 0.57789(18) -0.08649(16) 0.0472(10) Uani 1 4 e d . . .
H127 H 0.2345 0.5405 -0.0948 0.057 Uiso 1 4 e calc R . .
C128 C 0.2134(2) 0.6166(2) -0.12459(15) 0.0471(11) Uani 1 4 e d . . .
H128 H 0.2028 0.6060 -0.1591 0.057 Uiso 1 4 e calc R . .
C129 C 0.2106(2) 0.67100(19) -0.11215(15) 0.0444(10) Uani 1 4 e d . . .
H129 H 0.1987 0.6981 -0.1382 0.053 Uiso 1 4 e calc R . .
C130 C 0.22505(18) 0.68616(16) -0.06178(14) 0.0357(8) Uani 1 4 e d . . .
H130 H 0.2231 0.7237 -0.0536 0.043 Uiso 1 4 e calc R . .
C131 C 0.25515(16) 0.59894(13) 0.15323(13) 0.0260(7) Uani 1 4 e d . . .
C132 C 0.2317(2) 0.54659(15) 0.13753(16) 0.0458(10) Uani 1 4 e d . . .
H132 H 0.2230 0.5357 0.1033 0.055 Uiso 1 4 e calc R . .
C133 C 0.2206(3) 0.50999(16) 0.17129(18) 0.0560(12) Uani 1 4 e d . . .
H133 H 0.2043 0.4743 0.1599 0.067 Uiso 1 4 e calc R . .
C134 C 0.2330(2) 0.52458(16) 0.22085(16) 0.0442(10) Uani 1 4 e d . . .
H134 H 0.2242 0.4997 0.2436 0.053 Uiso 1 4 e calc R . .
C135 C 0.2581(2) 0.57555(17) 0.23693(16) 0.0496(11) Uani 1 4 e d . . .
H135 H 0.2680 0.5859 0.2714 0.060 Uiso 1 4 e calc R . .
C136 C 0.2694(2) 0.61234(16) 0.20342(15) 0.0397(9) Uani 1 4 e d . . .
H136 H 0.2874 0.6475 0.2154 0.048 Uiso 1 4 e calc R . .
C137 C 0.44649(16) 0.68321(13) 0.27566(12) 0.0243(7) Uani 1 4 e d . . .
C138 C 0.46566(17) 0.73030(14) 0.30563(13) 0.0274(7) Uani 1 4 e d . . .
H138 H 0.4739 0.7632 0.2909 0.033 Uiso 1 4 e calc R . .
C139 C 0.47275(18) 0.72955(15) 0.35646(13) 0.0340(8) Uani 1 4 e d . . .
H139 H 0.4863 0.7618 0.3765 0.041 Uiso 1 4 e calc R . .
C140 C 0.4602(2) 0.68211(17) 0.37824(14) 0.0386(9) Uani 1 4 e d . . .
H140 H 0.4640 0.6819 0.4129 0.046 Uiso 1 4 e calc R . .
C141 C 0.4422(2) 0.63518(16) 0.34944(14) 0.0381(9) Uani 1 4 e d . . .
H141 H 0.4340 0.6025 0.3645 0.046 Uiso 1 4 e calc R . .
C142 C 0.43579(18) 0.63531(14) 0.29851(14) 0.0320(8) Uani 1 4 e d . . .
H142 H 0.4241 0.6025 0.2791 0.038 Uiso 1 4 e calc R . .
C143 C 0.44445(16) 0.58949(12) 0.11600(13) 0.0249(7) Uani 1 4 e d . . .
C144 C 0.41504(18) 0.58477(14) 0.06296(14) 0.0300(7) Uani 1 4 e d . . .
H144 H 0.3859 0.6128 0.0435 0.036 Uiso 1 4 e calc R . .
C145 C 0.4281(2) 0.53939(15) 0.03831(16) 0.0397(9) Uani 1 4 e d . . .
H145 H 0.4076 0.5363 0.0022 0.048 Uiso 1 4 e calc R . .
C146 C 0.4710(2) 0.49865(15) 0.06633(18) 0.0457(11) Uani 1 4 e d . . .
H146 H 0.4800 0.4676 0.0495 0.055 Uiso 1 4 e calc R . .
C147 C 0.5006(2) 0.50306(15) 0.11867(17) 0.0417(10) Uani 1 4 e d . . .
H147 H 0.5303 0.4752 0.1378 0.050 Uiso 1 4 e calc R . .
C148 C 0.48731(18) 0.54789(13) 0.14367(15) 0.0318(8) Uani 1 4 e d . . .
H148 H 0.5075 0.5503 0.1798 0.038 Uiso 1 4 e calc R . .
N1 N 0.08956(14) 0.76381(14) 0.11188(12) 0.0365(7) Uani 1 4 e d . . .
C1A C 0.12044(18) 0.76784(18) 0.07086(14) 0.040(6) Uani 0.487(6) 4 e d P A 1
H1A1 H 0.1544 0.7977 0.0796 0.048 Uiso 0.487(6) 4 e calc PR A 1
H1A2 H 0.1442 0.7333 0.0698 0.048 Uiso 0.487(6) 4 e calc PR A 1
C2A C 0.0680(4) 0.7784(4) 0.0203(3) 0.048(3) Uani 0.487(6) 4 e d P A 1
H2A1 H 0.0601 0.8182 0.0151 0.057 Uiso 0.487(6) 4 e calc PR A 1
H2A2 H 0.0247 0.7608 0.0177 0.057 Uiso 0.487(6) 4 e calc PR A 1
C3A C 0.0928(4) 0.7550(4) -0.0204(3) 0.046(2) Uani 0.487(6) 4 e d P A 1
H3A1 H 0.0682 0.7736 -0.0533 0.055 Uiso 0.487(6) 4 e calc PR A 1
H3A2 H 0.1417 0.7633 -0.0105 0.055 Uiso 0.487(6) 4 e calc PR A 1
C4A C 0.0826(4) 0.6944(4) -0.0280(3) 0.050(2) Uani 0.487(6) 4 e d P A 1
H4A1 H 0.1078 0.6755 0.0042 0.075 Uiso 0.487(6) 4 e calc PR A 1
H4A2 H 0.0994 0.6823 -0.0544 0.075 Uiso 0.487(6) 4 e calc PR A 1
H4A3 H 0.0341 0.6858 -0.0386 0.075 Uiso 0.487(6) 4 e calc PR A 1
C1B C 0.12044(18) 0.76784(18) 0.07086(14) 0.040(5) Uani 0.513(6) 4 e d P A 2
H1B1 H 0.1610 0.7439 0.0812 0.048 Uiso 0.513(6) 4 e calc PR A 2
H1B2 H 0.1365 0.8058 0.0708 0.048 Uiso 0.513(6) 4 e calc PR A 2
C2B C 0.0748(4) 0.7528(3) 0.0150(3) 0.0314(19) Uani 0.513(6) 4 e d P A 2
H2B1 H 0.0843 0.7146 0.0081 0.038 Uiso 0.513(6) 4 e calc PR A 2
H2B2 H 0.0265 0.7551 0.0113 0.038 Uiso 0.513(6) 4 e calc PR A 2
C3B C 0.0868(4) 0.7909(3) -0.0245(3) 0.0360(19) Uani 0.513(6) 4 e d P A 2
H3B1 H 0.1362 0.7936 -0.0172 0.043 Uiso 0.513(6) 4 e calc PR A 2
H3B2 H 0.0650 0.7749 -0.0590 0.043 Uiso 0.513(6) 4 e calc PR A 2
C4B C 0.0587(4) 0.8472(3) -0.0241(3) 0.0364(18) Uani 0.513(6) 4 e d P A 2
H4B1 H 0.0095 0.8449 -0.0327 0.055 Uiso 0.513(6) 4 e calc PR A 2
H4B2 H 0.0681 0.8702 -0.0492 0.055 Uiso 0.513(6) 4 e calc PR A 2
H4B3 H 0.0801 0.8633 0.0100 0.055 Uiso 0.513(6) 4 e calc PR A 2
C5 C 0.05093(17) 0.71046(15) 0.10749(14) 0.0319(8) Uani 1 4 e d . A .
H5A H 0.0294 0.7101 0.1333 0.038 Uiso 1 4 e calc R . .
H5B H 0.0143 0.7084 0.0733 0.038 Uiso 1 4 e calc R . .
C6 C 0.0964(2) 0.66067(17) 0.11515(17) 0.0458(10) Uani 1 4 e d . . .
H6A H 0.1194 0.6617 0.0902 0.055 Uiso 1 4 e calc R A .
H6B H 0.1319 0.6617 0.1499 0.055 Uiso 1 4 e calc R . .
C7 C 0.0566(2) 0.60806(18) 0.10855(17) 0.0510(11) Uani 1 4 e d . A .
H7A H 0.0198 0.6082 0.0744 0.061 Uiso 1 4 e calc R . .
H7B H 0.0871 0.5771 0.1095 0.061 Uiso 1 4 e calc R . .
C8 C 0.0262(3) 0.5987(2) 0.1477(2) 0.0689(15) Uani 1 4 e d . . .
H8A H 0.0624 0.5911 0.1807 0.103 Uiso 1 4 e calc R A .
H8B H -0.0050 0.5675 0.1376 0.103 Uiso 1 4 e calc R . .
H8C H 0.0012 0.6315 0.1507 0.103 Uiso 1 4 e calc R . .
C9 C 0.0383(2) 0.81007(16) 0.10554(18) 0.0462(10) Uani 1 4 e d . A .
H9A H 0.0043 0.8085 0.0702 0.055 Uiso 1 4 e calc R . .
H9B H 0.0138 0.8028 0.1289 0.055 Uiso 1 4 e calc R . .
C10 C 0.0665(2) 0.86812(18) 0.11547(18) 0.0501(11) Uani 1 4 e d . . .
H10A H 0.1010 0.8727 0.0997 0.060 Uiso 1 4 e calc R A .
H10B H 0.0895 0.8735 0.1527 0.060 Uiso 1 4 e calc R . .
C11 C 0.0114(2) 0.91214(18) 0.0943(2) 0.0598(13) Uani 1 4 e d . A .
H11A H -0.0075 0.9097 0.0565 0.072 Uiso 1 4 e calc R . .
H11B H -0.0260 0.9046 0.1065 0.072 Uiso 1 4 e calc R . .
C12 C 0.0366(2) 0.96837(19) 0.1092(2) 0.0589(12) Uani 1 4 e d . . .
H12A H 0.0838 0.9711 0.1114 0.088 Uiso 1 4 e calc R A .
H12B H 0.0343 0.9770 0.1426 0.088 Uiso 1 4 e calc R . .
H12C H 0.0084 0.9943 0.0837 0.088 Uiso 1 4 e calc R . .
C13 C 0.14830(19) 0.7694(2) 0.16195(14) 0.0450(10) Uani 1 4 e d . A .
H13A H 0.1693 0.8058 0.1632 0.054 Uiso 1 4 e calc R . .
H13B H 0.1829 0.7415 0.1633 0.054 Uiso 1 4 e calc R . .
C14 C 0.1294(2) 0.7629(2) 0.20931(16) 0.0562(13) Uani 1 4 e d . . .
H14A H 0.0897 0.7863 0.2058 0.067 Uiso 1 4 e calc R A .
H14B H 0.1167 0.7245 0.2123 0.067 Uiso 1 4 e calc R . .
C15 C 0.1886(3) 0.7791(3) 0.25688(18) 0.0725(17) Uani 1 4 e d . A .
H15A H 0.1732 0.7796 0.2861 0.087 Uiso 1 4 e calc R . .
H15B H 0.2028 0.8167 0.2524 0.087 Uiso 1 4 e calc R . .
C16 C 0.2508(2) 0.7409(2) 0.26999(16) 0.0575(12) Uani 1 4 e d . . .
H16A H 0.2362 0.7028 0.2700 0.086 Uiso 1 4 e calc R A .
H16B H 0.2839 0.7502 0.3039 0.086 Uiso 1 4 e calc R . .
H16C H 0.2719 0.7454 0.2445 0.086 Uiso 1 4 e calc R . .
Eu2 Eu 0.829396(7) 0.746067(6) 0.091081(5) 0.01787(4) Uani 1 4 e d . . .
O9 O 0.78483(11) 0.77136(8) 0.15538(8) 0.0218(4) Uani 1 4 e d . . .
O10 O 0.81395(11) 0.66658(9) 0.13483(8) 0.0242(5) Uani 1 4 e d . . .
O11 O 0.93383(11) 0.73621(9) 0.16377(8) 0.0231(4) Uani 1 4 e d . . .
O12 O 0.87604(11) 0.83359(9) 0.12067(8) 0.0235(5) Uani 1 4 e d . . .
O13 O 0.74682(11) 0.81290(9) 0.04166(8) 0.0230(5) Uani 1 4 e d . . .
O14 O 0.73424(11) 0.70202(9) 0.02956(8) 0.0255(5) Uani 1 4 e d . . .
O15 O 0.87031(11) 0.77698(9) 0.02693(8) 0.0242(5) Uani 1 4 e d . B .
O16 O 0.87711(12) 0.67100(9) 0.06009(8) 0.0253(5) Uani 1 4 e d . B .
C401 C 0.79580(14) 0.75223(12) 0.19976(11) 0.0193(6) Uani 1 4 e d . . .
C402 C 0.81717(16) 0.69877(13) 0.21497(12) 0.0234(7) Uani 1 4 e d . . .
H402 H 0.8279 0.6891 0.2497 0.028 Uiso 1 4 e calc R . .
C403 C 0.82362(16) 0.65849(13) 0.18120(12) 0.0230(6) Uani 1 4 e d . . .
C404 C 0.95742(15) 0.76434(12) 0.20435(11) 0.0204(6) Uani 1 4 e d . . .
C405 C 0.94591(16) 0.82025(12) 0.20736(12) 0.0230(6) Uani 1 4 e d . . .
H405 H 0.9667 0.8380 0.2393 0.028 Uiso 1 4 e calc R . .
C406 C 0.90528(15) 0.85139(12) 0.16553(11) 0.0204(6) Uani 1 4 e d . . .
C407 C 0.70916(16) 0.81372(13) -0.00538(12) 0.0236(7) Uani 1 4 e d . . .
C408 C 0.68912(17) 0.76674(13) -0.03623(12) 0.0263(7) Uani 1 4 e d . . .
H408 H 0.6651 0.7715 -0.0718 0.032 Uiso 1 4 e calc R . .
C409 C 0.70267(16) 0.71358(13) -0.01717(12) 0.0239(7) Uani 1 4 e d . . .
C410 C 0.87556(15) 0.75547(13) -0.01233(11) 0.0233(6) Uani 1 4 e d . . .
C411 C 0.87582(17) 0.69914(14) -0.02068(12) 0.0268(7) Uani 1 4 e d . B .
H411 H 0.8740 0.6867 -0.0531 0.032 Uiso 1 4 e calc R . .
C412 C 0.87859(15) 0.65997(13) 0.01655(12) 0.0229(6) Uani 1 4 e d . . .
C201 C 0.84416(16) 0.60152(12) 0.20088(12) 0.0238(7) Uani 1 4 e d . . .
C202 C 0.83784(19) 0.58083(14) 0.24489(14) 0.0324(8) Uani 1 4 e d . . .
H202 H 0.8199 0.6033 0.2644 0.039 Uiso 1 4 e calc R . .
C203 C 0.85751(19) 0.52766(15) 0.26060(14) 0.0361(8) Uani 1 4 e d . . .
H203 H 0.8531 0.5140 0.2908 0.043 Uiso 1 4 e calc R . .
C204 C 0.88337(19) 0.49463(14) 0.23263(15) 0.0362(8) Uani 1 4 e d . . .
H204 H 0.8966 0.4582 0.2434 0.043 Uiso 1 4 e calc R . .
C205 C 0.89016(19) 0.51433(14) 0.18900(15) 0.0360(8) Uani 1 4 e d . . .
H205 H 0.9084 0.4916 0.1698 0.043 Uiso 1 4 e calc R . .
C206 C 0.87038(18) 0.56733(14) 0.17311(13) 0.0300(7) Uani 1 4 e d . . .
H206 H 0.8748 0.5806 0.1427 0.036 Uiso 1 4 e calc R . .
C207 C 0.78170(15) 0.79079(13) 0.23658(12) 0.0228(6) Uani 1 4 e d . . .
C208 C 0.76093(17) 0.84375(13) 0.22036(14) 0.0309(8) Uani 1 4 e d . . .
H208 H 0.7603 0.8558 0.1881 0.037 Uiso 1 4 e calc R . .
C209 C 0.7411(2) 0.87919(15) 0.25085(17) 0.0411(9) Uani 1 4 e d . . .
H209 H 0.7259 0.9150 0.2390 0.049 Uiso 1 4 e calc R . .
C210 C 0.7433(2) 0.86260(16) 0.29853(17) 0.0441(10) Uani 1 4 e d . . .
H210 H 0.7298 0.8870 0.3193 0.053 Uiso 1 4 e calc R . .
C211 C 0.76526(19) 0.81063(17) 0.31569(15) 0.0394(9) Uani 1 4 e d . . .
H211 H 0.7674 0.7994 0.3486 0.047 Uiso 1 4 e calc R . .
C212 C 0.78425(17) 0.77453(15) 0.28494(12) 0.0289(7) Uani 1 4 e d . . .
H212 H 0.7990 0.7387 0.2969 0.035 Uiso 1 4 e calc R . .
C213 C 0.99891(16) 0.73352(13) 0.25205(12) 0.0242(7) Uani 1 4 e d . . .
C214 C 1.04078(17) 0.75933(15) 0.29691(12) 0.0291(7) Uani 1 4 e d . . .
H214 H 1.0452 0.7980 0.2979 0.035 Uiso 1 4 e calc R . .
C215 C 1.07592(19) 0.72851(17) 0.33994(14) 0.0372(9) Uani 1 4 e d . . .
H215 H 1.1047 0.7463 0.3702 0.045 Uiso 1 4 e calc R . .
C216 C 1.0694(2) 0.67218(17) 0.33923(15) 0.0407(9) Uani 1 4 e d . . .
H216 H 1.0929 0.6514 0.3690 0.049 Uiso 1 4 e calc R . .
C217 C 1.0289(2) 0.64637(16) 0.29510(15) 0.0390(9) Uani 1 4 e d . . .
H217 H 1.0245 0.6077 0.2943 0.047 Uiso 1 4 e calc R . .
C218 C 0.99446(18) 0.67677(14) 0.25185(14) 0.0299(7) Uani 1 4 e d . . .
H218 H 0.9673 0.6585 0.2214 0.036 Uiso 1 4 e calc R . .
C219 C 0.89089(17) 0.91018(13) 0.17366(12) 0.0233(6) Uani 1 4 e d . . .
C220 C 0.82868(17) 0.93218(13) 0.14297(13) 0.0277(7) Uani 1 4 e d . . .
H220 H 0.7972 0.9104 0.1171 0.033 Uiso 1 4 e calc R . .
C221 C 0.8123(2) 0.98573(15) 0.14989(15) 0.0356(8) Uani 1 4 e d . . .
H221 H 0.7693 1.0003 0.1291 0.043 Uiso 1 4 e calc R . .
C222 C 0.8583(2) 1.01800(15) 0.18698(14) 0.0388(9) Uani 1 4 e d . . .
H222 H 0.8473 1.0548 0.1914 0.047 Uiso 1 4 e calc R . .
C223 C 0.9203(2) 0.99670(15) 0.21747(15) 0.0424(10) Uani 1 4 e d . . .
H223 H 0.9519 1.0189 0.2429 0.051 Uiso 1 4 e calc R . .
C224 C 0.93679(19) 0.94293(14) 0.21116(13) 0.0335(8) Uani 1 4 e d . . .
H224 H 0.9795 0.9284 0.2324 0.040 Uiso 1 4 e calc R . .
C225 C 0.68517(17) 0.86869(13) -0.02844(12) 0.0262(7) Uani 1 4 e d . . .
C226 C 0.62483(19) 0.87546(15) -0.07101(14) 0.0345(8) Uani 1 4 e d . . .
H226 H 0.5988 0.8444 -0.0872 0.041 Uiso 1 4 e calc R . .
C227 C 0.6033(2) 0.92727(17) -0.08943(15) 0.0414(9) Uani 1 4 e d . . .
H227 H 0.5621 0.9316 -0.1180 0.050 Uiso 1 4 e calc R . .
C228 C 0.6403(2) 0.97236(16) -0.06717(15) 0.0399(9) Uani 1 4 e d . . .
H228 H 0.6254 1.0077 -0.0806 0.048 Uiso 1 4 e calc R . .
C229 C 0.6998(2) 0.96647(15) -0.02488(14) 0.0353(8) Uani 1 4 e d . . .
H229 H 0.7253 0.9979 -0.0090 0.042 Uiso 1 4 e calc R . .
C230 C 0.72238(18) 0.91472(13) -0.00559(13) 0.0289(7) Uani 1 4 e d . . .
H230 H 0.7633 0.9108 0.0233 0.035 Uiso 1 4 e calc R . .
C231 C 0.67912(16) 0.66560(13) -0.05320(12) 0.0250(7) Uani 1 4 e d . . .
C232 C 0.6359(2) 0.66998(15) -0.10399(13) 0.0348(8) Uani 1 4 e d . . .
H232 H 0.6178 0.7047 -0.1174 0.042 Uiso 1 4 e calc R . .
C233 C 0.6189(2) 0.62411(16) -0.13524(14) 0.0410(9) Uani 1 4 e d . . .
H233 H 0.5889 0.6276 -0.1698 0.049 Uiso 1 4 e calc R . .
C234 C 0.6451(2) 0.57376(15) -0.11645(14) 0.0381(9) Uani 1 4 e d . . .
H234 H 0.6342 0.5426 -0.1381 0.046 Uiso 1 4 e calc R . .
C235 C 0.6873(2) 0.56872(15) -0.06612(16) 0.0402(9) Uani 1 4 e d . . .
H235 H 0.7050 0.5338 -0.0530 0.048 Uiso 1 4 e calc R . .
C236 C 0.70406(18) 0.61393(14) -0.03434(14) 0.0329(8) Uani 1 4 e d . . .
H236 H 0.7327 0.6098 0.0005 0.039 Uiso 1 4 e calc R . .
C237 C 0.88518(16) 0.60039(13) 0.00565(12) 0.0254(7) Uani 1 4 e d . B .
C238 C 0.8701(2) 0.56163(15) 0.03569(14) 0.0371(9) Uani 1 4 e d . . .
H238 H 0.8541 0.5731 0.0615 0.045 Uiso 1 4 e calc R B .
C239 C 0.8781(2) 0.50621(16) 0.02868(16) 0.0457(10) Uani 1 4 e d . B .
H239 H 0.8679 0.4801 0.0498 0.055 Uiso 1 4 e calc R . .
C240 C 0.9007(2) 0.48917(16) -0.00896(16) 0.0458(10) Uani 1 4 e d . . .
H240 H 0.9048 0.4512 -0.0145 0.055 Uiso 1 4 e calc R B .
C241 C 0.9171(2) 0.52688(16) -0.03819(17) 0.0466(10) Uani 1 4 e d . B .
H241 H 0.9340 0.5151 -0.0634 0.056 Uiso 1 4 e calc R . .
C242 C 0.9092(2) 0.58215(15) -0.03133(14) 0.0367(9) Uani 1 4 e d . . .
H242 H 0.9205 0.6080 -0.0522 0.044 Uiso 1 4 e calc R B .
C253 C 0.8873(3) 0.79847(18) -0.05174(19) 0.038(3) Uani 0.526(8) 4 e d PG B 1
C254 C 0.9004(3) 0.78171(13) -0.09442(18) 0.0189(19) Uani 0.526(8) 4 e d PG B 1
H254 H 0.8974 0.7441 -0.1034 0.023 Uiso 0.526(8) 4 e calc PR B 1
C255 C 0.9179(3) 0.82001(17) -0.12395(16) 0.030(3) Uani 0.526(8) 4 e d PG B 1
H255 H 0.9269 0.8086 -0.1531 0.036 Uiso 0.526(8) 4 e calc PR B 1
C256 C 0.9224(3) 0.87506(16) -0.1108(2) 0.047(3) Uani 0.526(8) 4 e d PG B 1
H256 H 0.9344 0.9012 -0.1310 0.056 Uiso 0.526(8) 4 e calc PR B 1
C257 C 0.9093(4) 0.89182(15) -0.0681(2) 0.071(4) Uani 0.526(8) 4 e d PG B 1
H257 H 0.9123 0.9294 -0.0592 0.086 Uiso 0.526(8) 4 e calc PR B 1
C258 C 0.8917(4) 0.8535(2) -0.0386(2) 0.060(3) Uani 0.526(8) 4 e d PG B 1
H258 H 0.8827 0.8650 -0.0094 0.073 Uiso 0.526(8) 4 e calc PR B 1
C243 C 0.8836(3) 0.79156(18) -0.04972(18) 0.017(2) Uani 0.474(8) 4 e d PG B 2
C244 C 0.9065(3) 0.77350(15) -0.0874(2) 0.029(3) Uani 0.474(8) 4 e d PG B 2
H244 H 0.9181 0.7361 -0.0886 0.035 Uiso 0.474(8) 4 e calc PR B 2
C245 C 0.9123(3) 0.8101(2) -0.12336(18) 0.035(3) Uani 0.474(8) 4 e d PG B 2
H245 H 0.9280 0.7978 -0.1491 0.041 Uiso 0.474(8) 4 e calc PR B 2
C246 C 0.8953(3) 0.86479(18) -0.12160(18) 0.037(3) Uani 0.474(8) 4 e d PG B 2
H246 H 0.8993 0.8898 -0.1462 0.044 Uiso 0.474(8) 4 e calc PR B 2
C247 C 0.8724(3) 0.88285(15) -0.0839(2) 0.035(2) Uani 0.474(8) 4 e d PG B 2
H247 H 0.8608 0.9202 -0.0827 0.042 Uiso 0.474(8) 4 e calc PR B 2
C248 C 0.8665(3) 0.8462(2) -0.04796(18) 0.032(2) Uani 0.474(8) 4 e d PG B 2
H248 H 0.8509 0.8586 -0.0222 0.038 Uiso 0.474(8) 4 e calc PR B 2
N2 N 0.58156(13) 0.73362(11) 0.09296(11) 0.0251(6) Uani 1 4 e d . . .
C17 C 0.55338(16) 0.75132(14) 0.13343(13) 0.0274(7) Uani 1 4 e d . . .
H17A H 0.5117 0.7731 0.1165 0.033 Uiso 1 4 e calc R . .
H17B H 0.5401 0.7182 0.1477 0.033 Uiso 1 4 e calc R . .
C18 C 0.60165(18) 0.78468(15) 0.17729(14) 0.0337(8) Uani 1 4 e d . . .
H18A H 0.6012 0.8232 0.1663 0.040 Uiso 1 4 e calc R . .
H18B H 0.6485 0.7705 0.1864 0.040 Uiso 1 4 e calc R . .
C19 C 0.58163(19) 0.78236(16) 0.22444(14) 0.0381(9) Uani 1 4 e d . . .
H19A H 0.6035 0.8131 0.2475 0.046 Uiso 1 4 e calc R . .
H19B H 0.5318 0.7868 0.2135 0.046 Uiso 1 4 e calc R . .
C20 C 0.60259(19) 0.72891(18) 0.25339(15) 0.0433(10) Uani 1 4 e d . . .
H20A H 0.5817 0.6983 0.2306 0.065 Uiso 1 4 e calc R . .
H20B H 0.5874 0.7286 0.2824 0.065 Uiso 1 4 e calc R . .
H20C H 0.6522 0.7253 0.2659 0.065 Uiso 1 4 e calc R . .
C21 C 0.61894(16) 0.78032(13) 0.07896(14) 0.0273(7) Uani 1 4 e d . . .
H21A H 0.6382 0.7666 0.0541 0.033 Uiso 1 4 e calc R . .
H21B H 0.6574 0.7915 0.1100 0.033 Uiso 1 4 e calc R . .
C22 C 0.57586(18) 0.83071(13) 0.05631(14) 0.0311(8) Uani 1 4 e d . . .
H22A H 0.5386 0.8335 0.0696 0.037 Uiso 1 4 e calc R . .
H22B H 0.5552 0.8269 0.0187 0.037 Uiso 1 4 e calc R . .
C23 C 0.61898(18) 0.88271(13) 0.06984(14) 0.0303(8) Uani 1 4 e d . . .
H23A H 0.6316 0.8905 0.1067 0.036 Uiso 1 4 e calc R . .
H23B H 0.6614 0.8767 0.0634 0.036 Uiso 1 4 e calc R . .
C24 C 0.5816(2) 0.93191(14) 0.03900(15) 0.0382(9) Uani 1 4 e d . . .
H24A H 0.5751 0.9267 0.0030 0.057 Uiso 1 4 e calc R . .
H24B H 0.6085 0.9651 0.0519 0.057 Uiso 1 4 e calc R . .
H24C H 0.5373 0.9356 0.0423 0.057 Uiso 1 4 e calc R . .
C25 C 0.52152(16) 0.71509(13) 0.04712(13) 0.0258(7) Uani 1 4 e d . . .
H25A H 0.4893 0.7460 0.0355 0.031 Uiso 1 4 e calc R . .
H25B H 0.4980 0.6854 0.0581 0.031 Uiso 1 4 e calc R . .
C26 C 0.53782(18) 0.69469(14) 0.00186(14) 0.0302(8) Uani 1 4 e d . . .
H26A H 0.5809 0.6738 0.0144 0.036 Uiso 1 4 e calc R . .
H26B H 0.5439 0.7263 -0.0180 0.036 Uiso 1 4 e calc R . .
C27 C 0.48078(19) 0.65812(15) -0.03260(14) 0.0351(8) Uani 1 4 e d . . .
H27A H 0.4912 0.6483 -0.0631 0.042 Uiso 1 4 e calc R . .
H27B H 0.4804 0.6238 -0.0140 0.042 Uiso 1 4 e calc R . .
C28 C 0.41056(19) 0.68291(17) -0.05027(14) 0.0389(9) Uani 1 4 e d . . .
H28A H 0.3984 0.6908 -0.0206 0.058 Uiso 1 4 e calc R . .
H28B H 0.3777 0.6571 -0.0728 0.058 Uiso 1 4 e calc R . .
H28C H 0.4100 0.7169 -0.0689 0.058 Uiso 1 4 e calc R . .
C29 C 0.63381(17) 0.68825(13) 0.11367(14) 0.0297(7) Uani 1 4 e d . . .
H29A H 0.6690 0.7009 0.1460 0.036 Uiso 1 4 e calc R . .
H29B H 0.6563 0.6816 0.0890 0.036 Uiso 1 4 e calc R . .
C30 C 0.60461(18) 0.63424(14) 0.12373(16) 0.0371(9) Uani 1 4 e d . . .
H30A H 0.5849 0.6397 0.1503 0.045 Uiso 1 4 e calc R . .
H30B H 0.5678 0.6220 0.0921 0.045 Uiso 1 4 e calc R . .
C31 C 0.6595(2) 0.59048(16) 0.14123(19) 0.0501(11) Uani 1 4 e d . . .
H31A H 0.6992 0.6054 0.1695 0.060 Uiso 1 4 e calc R . .
H31B H 0.6420 0.5590 0.1549 0.060 Uiso 1 4 e calc R . .
C32 C 0.6826(2) 0.57039(18) 0.0999(2) 0.0665(15) Uani 1 4 e d . . .
H32A H 0.6432 0.5579 0.0707 0.100 Uiso 1 4 e calc R . .
H32B H 0.7145 0.5400 0.1129 0.100 Uiso 1 4 e calc R . .
H32C H 0.7052 0.6002 0.0891 0.100 Uiso 1 4 e calc R . .
S1 S 0.00238(8) 0.59664(5) -0.14117(5) 0.0656(4) Uani 1 4 e d . . .
C1LA C 0.0438(4) 0.6394(3) -0.0886(3) 0.057(2) Uani 0.597(7) 4 e d P C 1
H1L1 H 0.0925 0.6310 -0.0750 0.085 Uiso 0.597(7) 4 e calc PR C 1
H1L2 H 0.0249 0.6333 -0.0621 0.085 Uiso 0.597(7) 4 e calc PR C 1
H1L3 H 0.0371 0.6777 -0.0996 0.085 Uiso 0.597(7) 4 e calc PR C 1
C2LA C -0.0752(4) 0.6217(5) -0.1674(3) 0.076(3) Uani 0.597(7) 4 e d P C 1
H2L1 H -0.0760 0.6592 -0.1554 0.114 Uiso 0.597(7) 4 e calc PR C 1
H2L2 H -0.1068 0.5991 -0.1578 0.114 Uiso 0.597(7) 4 e calc PR C 1
H2L3 H -0.0889 0.6217 -0.2047 0.114 Uiso 0.597(7) 4 e calc PR C 1
C1LB C -0.0576(6) 0.6627(5) -0.1554(5) 0.056(3) Uani 0.403(7) 4 e d P C 2
H1L4 H -0.0316 0.6939 -0.1361 0.084 Uiso 0.403(7) 4 e calc PR C 2
H1L5 H -0.0962 0.6556 -0.1449 0.084 Uiso 0.403(7) 4 e calc PR C 2
H1L6 H -0.0743 0.6710 -0.1920 0.084 Uiso 0.403(7) 4 e calc PR C 2
C2LB C -0.0808(8) 0.5560(6) -0.1731(6) 0.082(5) Uani 0.403(7) 4 e d P C 2
H2L4 H -0.0905 0.5346 -0.1471 0.123 Uiso 0.403(7) 4 e calc PR C 2
H2L5 H -0.0757 0.5313 -0.1988 0.123 Uiso 0.403(7) 4 e calc PR C 2
H2L6 H -0.1183 0.5814 -0.1894 0.123 Uiso 0.403(7) 4 e calc PR C 2
O1L O 0.03904(17) 0.60525(13) -0.17674(12) 0.0588(8) Uani 1 4 e d . C .
S2A S 0.7167(4) 0.5714(2) 0.3069(2) 0.107(3) Uani 0.324(4) 4 e d P D 1
S2B S 0.72336(9) 0.56045(6) 0.35067(7) 0.0489(6) Uani 0.676(4) 4 e d P D 2
O2L O 0.7184(5) 0.6294(2) 0.3350(3) 0.204(4) Uani 1 4 e d . . .
C3L C 0.6434(3) 0.5384(3) 0.3014(2) 0.094(2) Uani 1 4 e d . . .
C4L C 0.77672(18) 0.53227(12) 0.33855(13) 0.0283(7) Uani 1 4 e d . . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
_geom_angle_publ_flag
O2 Eu1 O4 131.74(7) . . ?
O2 Eu1 O7 75.94(7) . . ?
O4 Eu1 O7 120.42(7) . . ?
O2 Eu1 O6 79.43(7) . . ?
O4 Eu1 O6 144.98(7) . . ?
O7 Eu1 O6 77.64(7) . . ?
O2 Eu1 O1 70.04(7) . . ?
O4 Eu1 O1 76.09(7) . . ?
O7 Eu1 O1 143.52(7) . . ?
O6 Eu1 O1 107.92(7) . . ?
O2 Eu1 O5 123.60(8) . . ?
O4 Eu1 O5 77.26(7) . . ?
O7 Eu1 O5 137.15(7) . . ?
O6 Eu1 O5 70.62(7) . . ?
O1 Eu1 O5 75.30(8) . . ?
O2 Eu1 O8 143.10(7) . . ?
O4 Eu1 O8 79.72(7) . . ?
O7 Eu1 O8 70.21(7) . . ?
O6 Eu1 O8 79.42(7) . . ?
O1 Eu1 O8 145.89(7) . . ?
O5 Eu1 O8 76.17(7) . . ?
O2 Eu1 O3 74.51(7) . . ?
O4 Eu1 O3 69.64(7) . . ?
O7 Eu1 O3 72.52(7) . . ?
O6 Eu1 O3 144.17(7) . . ?
O1 Eu1 O3 85.86(7) . . ?
O5 Eu1 O3 145.01(7) . . ?
O8 Eu1 O3 107.83(7) . . ?
C301 O1 Eu1 134.3(2) . . ?
C303 O2 Eu1 131.41(19) . . ?
C304 O3 Eu1 133.6(2) . . ?
C306 O4 Eu1 127.46(18) . . ?
C307 O5 Eu1 130.0(2) . . ?
C309 O6 Eu1 130.57(19) . . ?
C310 O7 Eu1 131.2(2) . . ?
C312 O8 Eu1 131.39(19) . . ?
O1 C301 C302 124.0(3) . . ?
O1 C301 C101 115.5(3) . . ?
C302 C301 C101 120.5(3) . . ?
C301 C302 C303 122.8(3) . . ?
C301 C302 H302 118.6 . . ?
C303 C302 H302 118.6 . . ?
O2 C303 C302 124.2(3) . . ?
O2 C303 C107 115.9(3) . . ?
C302 C303 C107 119.9(3) . . ?
O3 C304 C305 124.2(3) . . ?
O3 C304 C113 115.8(3) . . ?
C305 C304 C113 120.0(3) . . ?
C306 C305 C304 122.5(3) . . ?
C306 C305 H305 118.8 . . ?
C304 C305 H305 118.8 . . ?
O4 C306 C305 123.6(3) . . ?
O4 C306 C119 115.5(3) . . ?
C305 C306 C119 120.9(3) . . ?
O5 C307 C308 124.9(3) . . ?
O5 C307 C125 116.3(3) . . ?
C308 C307 C125 118.8(3) . . ?
C309 C308 C307 123.9(3) . . ?
C309 C308 H308 118.1 . . ?
C307 C308 H308 118.1 . . ?
O6 C309 C308 124.4(3) . . ?
O6 C309 C131 116.1(3) . . ?
C308 C309 C131 119.4(3) . . ?
O7 C310 C311 124.3(3) . . ?
O7 C310 C137 115.5(3) . . ?
C311 C310 C137 120.2(3) . . ?
C312 C311 C310 123.3(3) . . ?
C312 C311 H311 118.3 . . ?
C310 C311 H311 118.3 . . ?
O8 C312 C311 124.9(3) . . ?
O8 C312 C143 115.6(3) . . ?
C311 C312 C143 119.6(3) . . ?
C102 C101 C106 119.0(3) . . ?
C102 C101 C301 118.1(3) . . ?
C106 C101 C301 122.9(3) . . ?
C103 C102 C101 120.8(3) . . ?
C103 C102 H102 119.6 . . ?
C101 C102 H102 119.6 . . ?
C104 C103 C102 119.9(3) . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C104 C105 120.0(3) . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 C106 120.4(4) . . ?
C104 C105 H105 119.8 . . ?
C106 C105 H105 119.8 . . ?
C105 C106 C101 119.9(3) . . ?
C105 C106 H106 120.1 . . ?
C101 C106 H106 120.1 . . ?
C108 C107 C112 118.7(3) . . ?
C108 C107 C303 124.0(3) . . ?
C112 C107 C303 117.2(3) . . ?
C109 C108 C107 120.4(3) . . ?
C109 C108 H108 119.8 . . ?
C107 C108 H108 119.8 . . ?
C110 C109 C108 120.3(3) . . ?
C110 C109 H109 119.8 . . ?
C108 C109 H109 119.8 . . ?
C111 C110 C109 119.8(3) . . ?
C111 C110 H110 120.1 . . ?
C109 C110 H110 120.1 . . ?
C110 C111 C112 120.0(3) . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 C107 120.7(3) . . ?
C111 C112 H112 119.6 . . ?
C107 C112 H112 119.6 . . ?
C118 C113 C114 118.8(3) . . ?
C118 C113 C304 118.6(3) . . ?
C114 C113 C304 122.5(3) . . ?
C113 C114 C115 120.3(3) . . ?
C113 C114 H114 119.9 . . ?
C115 C114 H114 119.9 . . ?
C116 C115 C114 120.4(3) . . ?
C116 C115 H115 119.8 . . ?
C114 C115 H115 119.8 . . ?
C115 C116 C117 119.5(3) . . ?
C115 C116 H116 120.3 . . ?
C117 C116 H116 120.3 . . ?
C116 C117 C118 120.3(3) . . ?
C116 C117 H117 119.8 . . ?
C118 C117 H117 119.8 . . ?
C117 C118 C113 120.6(3) . . ?
C117 C118 H118 119.7 . . ?
C113 C118 H118 119.7 . . ?
C120 C119 C124 118.6(3) . . ?
C120 C119 C306 117.3(3) . . ?
C124 C119 C306 123.8(3) . . ?
C119 C120 C121 121.3(3) . . ?
C119 C120 H120 119.3 . . ?
C121 C120 H120 119.3 . . ?
C122 C121 C120 119.4(4) . . ?
C122 C121 H121 120.3 . . ?
C120 C121 H121 120.3 . . ?
C121 C122 C123 120.3(3) . . ?
C121 C122 H122 119.8 . . ?
C123 C122 H122 119.8 . . ?
C122 C123 C124 120.3(3) . . ?
C122 C123 H123 119.8 . . ?
C124 C123 H123 119.8 . . ?
C123 C124 C119 120.0(3) . . ?
C123 C124 H124 120.0 . . ?
C119 C124 H124 120.0 . . ?
C126 C125 C130 118.1(3) . . ?
C126 C125 C307 123.8(3) . . ?
C130 C125 C307 118.1(3) . . ?
C125 C126 C127 120.7(4) . . ?
C125 C126 H126 119.6 . . ?
C127 C126 H126 119.6 . . ?
C128 C127 C126 120.7(4) . . ?
C128 C127 H127 119.6 . . ?
C126 C127 H127 119.6 . . ?
C127 C128 C129 119.4(4) . . ?
C127 C128 H128 120.3 . . ?
C129 C128 H128 120.3 . . ?
C128 C129 C130 120.2(4) . . ?
C128 C129 H129 119.9 . . ?
C130 C129 H129 119.9 . . ?
C129 C130 C125 120.9(4) . . ?
C129 C130 H130 119.6 . . ?
C125 C130 H130 119.6 . . ?
C136 C131 C132 117.8(3) . . ?
C136 C131 C309 118.5(3) . . ?
C132 C131 C309 123.6(3) . . ?
C131 C132 C133 120.6(4) . . ?
C131 C132 H132 119.7 . . ?
C133 C132 H132 119.7 . . ?
C134 C133 C132 120.9(4) . . ?
C134 C133 H133 119.6 . . ?
C132 C133 H133 119.6 . . ?
C135 C134 C133 118.7(4) . . ?
C135 C134 H134 120.6 . . ?
C133 C134 H134 120.6 . . ?
C134 C135 C136 120.7(4) . . ?
C134 C135 H135 119.7 . . ?
C136 C135 H135 119.7 . . ?
C131 C136 C135 121.2(4) . . ?
C131 C136 H136 119.4 . . ?
C135 C136 H136 119.4 . . ?
C142 C137 C138 118.3(3) . . ?
C142 C137 C310 122.5(3) . . ?
C138 C137 C310 119.0(3) . . ?
C139 C138 C137 120.7(3) . . ?
C139 C138 H138 119.6 . . ?
C137 C138 H138 119.6 . . ?
C140 C139 C138 120.3(3) . . ?
C140 C139 H139 119.9 . . ?
C138 C139 H139 119.9 . . ?
C141 C140 C139 119.7(3) . . ?
C141 C140 H140 120.2 . . ?
C139 C140 H140 120.2 . . ?
C140 C141 C142 120.5(3) . . ?
C140 C141 H141 119.8 . . ?
C142 C141 H141 119.8 . . ?
C141 C142 C137 120.5(3) . . ?
C141 C142 H142 119.8 . . ?
C137 C142 H142 119.8 . . ?
C148 C143 C144 118.7(3) . . ?
C148 C143 C312 123.0(3) . . ?
C144 C143 C312 118.2(3) . . ?
C145 C144 C143 120.5(3) . . ?
C145 C144 H144 119.7 . . ?
C143 C144 H144 119.7 . . ?
C146 C145 C144 120.0(4) . . ?
C146 C145 H145 120.0 . . ?
C144 C145 H145 120.0 . . ?
C147 C146 C145 119.9(3) . . ?
C147 C146 H146 120.0 . . ?
C145 C146 H146 120.0 . . ?
C146 C147 C148 120.5(4) . . ?
C146 C147 H147 119.7 . . ?
C148 C147 H147 119.7 . . ?
C147 C148 C143 120.3(4) . . ?
C147 C148 H148 119.8 . . ?
C143 C148 H148 119.8 . . ?
C13 N1 C5 112.8(3) . . ?
C13 N1 C1A 105.5(3) . . ?
C5 N1 C1A 111.1(3) . . ?
C13 N1 C9 110.4(3) . . ?
C5 N1 C9 106.7(3) . . ?
C1A N1 C9 110.2(3) . . ?
C2A C1A N1 111.4(4) . . ?
C2A C1A H1A1 109.4 . . ?
N1 C1A H1A1 109.4 . . ?
C2A C1A H1A2 109.4 . . ?
N1 C1A H1A2 109.4 . . ?
H1A1 C1A H1A2 108.0 . . ?
C1A C2A C3A 108.3(6) . . ?
C1A C2A H2A1 110.0 . . ?
C3A C2A H2A1 110.0 . . ?
C1A C2A H2A2 110.0 . . ?
C3A C2A H2A2 110.0 . . ?
H2A1 C2A H2A2 108.4 . . ?
C4A C3A C2A 113.8(8) . . ?
C4A C3A H3A1 108.8 . . ?
C2A C3A H3A1 108.8 . . ?
C4A C3A H3A2 108.8 . . ?
C2A C3A H3A2 108.8 . . ?
H3A1 C3A H3A2 107.7 . . ?
C3A C4A H4A1 109.5 . . ?
C3A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C3A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
C3B C2B H2B1 109.1 . . ?
C3B C2B H2B2 109.1 . . ?
H2B1 C2B H2B2 107.8 . . ?
C4B C3B C2B 112.1(6) . . ?
C4B C3B H3B1 109.2 . . ?
C2B C3B H3B1 109.2 . . ?
C4B C3B H3B2 109.2 . . ?
C2B C3B H3B2 109.2 . . ?
H3B1 C3B H3B2 107.9 . . ?
C3B C4B H4B1 109.5 . . ?
C3B C4B H4B2 109.5 . . ?
H4B1 C4B H4B2 109.5 . . ?
C3B C4B H4B3 109.5 . . ?
H4B1 C4B H4B3 109.5 . . ?
H4B2 C4B H4B3 109.5 . . ?
C6 C5 N1 112.6(3) . . ?
C6 C5 H5A 109.1 . . ?
N1 C5 H5A 109.1 . . ?
C6 C5 H5B 109.1 . . ?
N1 C5 H5B 109.1 . . ?
H5A C5 H5B 107.8 . . ?
C7 C6 C5 111.7(3) . . ?
C7 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
C7 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
C8 C7 C6 114.4(4) . . ?
C8 C7 H7A 108.7 . . ?
C6 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
C6 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N1 116.9(3) . . ?
C10 C9 H9A 108.1 . . ?
N1 C9 H9A 108.1 . . ?
C10 C9 H9B 108.1 . . ?
N1 C9 H9B 108.1 . . ?
H9A C9 H9B 107.3 . . ?
C9 C10 C11 113.0(4) . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10B 109.0 . . ?
C11 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C10 113.4(4) . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 114.6(3) . . ?
N1 C13 H13A 108.6 . . ?
C14 C13 H13A 108.6 . . ?
N1 C13 H13B 108.6 . . ?
C14 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C15 C14 C13 110.3(3) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 114.2(4) . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15B 108.7 . . ?
C16 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O12 Eu2 O14 142.67(7) . . ?
O12 Eu2 O10 132.11(7) . . ?
O14 Eu2 O10 76.55(7) . . ?
O12 Eu2 O15 76.20(7) . . ?
O14 Eu2 O15 92.14(7) . . ?
O10 Eu2 O15 143.36(7) . . ?
O12 Eu2 O16 129.70(7) . . ?
O14 Eu2 O16 75.28(8) . . ?
O10 Eu2 O16 73.80(7) . . ?
O15 Eu2 O16 69.62(7) . . ?
O12 Eu2 O9 74.44(7) . . ?
O14 Eu2 O9 101.76(7) . . ?
O10 Eu2 O9 69.87(7) . . ?
O15 Eu2 O9 146.68(7) . . ?
O16 Eu2 O9 143.13(7) . . ?
O12 Eu2 O11 70.07(7) . . ?
O14 Eu2 O11 147.18(7) . . ?
O10 Eu2 O11 74.74(7) . . ?
O15 Eu2 O11 101.52(7) . . ?
O16 Eu2 O11 81.72(7) . . ?
O9 Eu2 O11 82.94(7) . . ?
O12 Eu2 O13 73.31(7) . . ?
O14 Eu2 O13 69.41(7) . . ?
O10 Eu2 O13 129.73(7) . . ?
O15 Eu2 O13 74.80(7) . . ?
O16 Eu2 O13 128.01(7) . . ?
O9 Eu2 O13 81.95(7) . . ?
O11 Eu2 O13 142.92(7) . . ?
C401 O9 Eu2 131.49(19) . . ?
C403 O10 Eu2 131.39(19) . . ?
C404 O11 Eu2 130.21(19) . . ?
C406 O12 Eu2 130.49(19) . . ?
C407 O13 Eu2 130.77(19) . . ?
C409 O14 Eu2 129.55(19) . . ?
C410 O15 Eu2 134.4(2) . . ?
C412 O16 Eu2 132.5(2) . . ?
O9 C401 C402 124.5(3) . . ?
O9 C401 C207 115.7(3) . . ?
C402 C401 C207 119.8(3) . . ?
C401 C402 C403 123.2(3) . . ?
C401 C402 H402 118.4 . . ?
C403 C402 H402 118.4 . . ?
O10 C403 C402 124.7(3) . . ?
O10 C403 C201 116.2(3) . . ?
C402 C403 C201 119.0(3) . . ?
O11 C404 C405 124.4(3) . . ?
O11 C404 C213 116.0(3) . . ?
C405 C404 C213 119.5(3) . . ?
C404 C405 C406 123.2(3) . . ?
C404 C405 H405 118.4 . . ?
C406 C405 H405 118.4 . . ?
O12 C406 C405 125.3(3) . . ?
O12 C406 C219 115.4(3) . . ?
C405 C406 C219 119.2(3) . . ?
O13 C407 C408 124.2(3) . . ?
O13 C407 C225 116.7(3) . . ?
C408 C407 C225 119.2(3) . . ?
C409 C408 C407 123.4(3) . . ?
C409 C408 H408 118.3 . . ?
C407 C408 H408 118.3 . . ?
O14 C409 C408 124.2(3) . . ?
O14 C409 C231 116.2(3) . . ?
C408 C409 C231 119.6(3) . . ?
O15 C410 C411 124.3(3) . . ?
O15 C410 C243 117.3(3) . . ?
C411 C410 C243 118.4(3) . . ?
O15 C410 C253 114.5(3) . . ?
C411 C410 C253 121.1(3) . . ?
C243 C410 C253 3.4(4) . . ?
C410 C411 C412 123.2(3) . . ?
C410 C411 H411 118.4 . . ?
C412 C411 H411 118.4 . . ?
O16 C412 C411 124.6(3) . . ?
O16 C412 C237 116.1(3) . . ?
C411 C412 C237 119.3(3) . . ?
C202 C201 C206 118.1(3) . . ?
C202 C201 C403 123.8(3) . . ?
C206 C201 C403 118.1(3) . . ?
C203 C202 C201 120.7(3) . . ?
C203 C202 H202 119.7 . . ?
C201 C202 H202 119.7 . . ?
C204 C203 C202 120.3(3) . . ?
C204 C203 H203 119.9 . . ?
C202 C203 H203 119.9 . . ?
C203 C204 C205 120.0(3) . . ?
C203 C204 H204 120.0 . . ?
C205 C204 H204 120.0 . . ?
C204 C205 C206 119.9(3) . . ?
C204 C205 H205 120.1 . . ?
C206 C205 H205 120.1 . . ?
C205 C206 C201 121.1(3) . . ?
C205 C206 H206 119.5 . . ?
C201 C206 H206 119.5 . . ?
C208 C207 C212 118.6(3) . . ?
C208 C207 C401 118.3(3) . . ?
C212 C207 C401 122.9(3) . . ?
C209 C208 C207 120.6(3) . . ?
C209 C208 H208 119.7 . . ?
C207 C208 H208 119.7 . . ?
C210 C209 C208 120.3(4) . . ?
C210 C209 H209 119.8 . . ?
C208 C209 H209 119.8 . . ?
C211 C210 C209 119.8(3) . . ?
C211 C210 H210 120.1 . . ?
C209 C210 H210 120.1 . . ?
C210 C211 C212 120.2(4) . . ?
C210 C211 H211 119.9 . . ?
C212 C211 H211 119.9 . . ?
C211 C212 C207 120.4(3) . . ?
C211 C212 H212 119.8 . . ?
C207 C212 H212 119.8 . . ?
C218 C213 C214 118.2(3) . . ?
C218 C213 C404 118.6(3) . . ?
C214 C213 C404 123.1(3) . . ?
C215 C214 C213 120.1(3) . . ?
C215 C214 H214 119.9 . . ?
C213 C214 H214 119.9 . . ?
C216 C215 C214 120.6(4) . . ?
C216 C215 H215 119.7 . . ?
C214 C215 H215 119.7 . . ?
C217 C216 C215 119.7(3) . . ?
C217 C216 H216 120.2 . . ?
C215 C216 H216 120.2 . . ?
C216 C217 C218 120.0(4) . . ?
C216 C217 H217 120.0 . . ?
C218 C217 H217 120.0 . . ?
C217 C218 C213 121.3(4) . . ?
C217 C218 H218 119.3 . . ?
C213 C218 H218 119.3 . . ?
C220 C219 C224 119.0(3) . . ?
C220 C219 C406 118.3(3) . . ?
C224 C219 C406 122.7(3) . . ?
C221 C220 C219 120.5(3) . . ?
C221 C220 H220 119.8 . . ?
C219 C220 H220 119.8 . . ?
C222 C221 C220 120.1(3) . . ?
C222 C221 H221 120.0 . . ?
C220 C221 H221 120.0 . . ?
C223 C222 C221 120.0(3) . . ?
C223 C222 H222 120.0 . . ?
C221 C222 H222 120.0 . . ?
C222 C223 C224 120.3(4) . . ?
C222 C223 H223 119.9 . . ?
C224 C223 H223 119.9 . . ?
C223 C224 C219 120.2(3) . . ?
C223 C224 H224 119.9 . . ?
C219 C224 H224 119.9 . . ?
C230 C225 C226 118.9(3) . . ?
C230 C225 C407 118.9(3) . . ?
C226 C225 C407 122.2(3) . . ?
C227 C226 C225 120.0(4) . . ?
C227 C226 H226 120.0 . . ?
C225 C226 H226 120.0 . . ?
C228 C227 C226 120.9(4) . . ?
C228 C227 H227 119.5 . . ?
C226 C227 H227 119.5 . . ?
C227 C228 C229 119.8(3) . . ?
C227 C228 H228 120.1 . . ?
C229 C228 H228 120.1 . . ?
C228 C229 C230 120.2(4) . . ?
C228 C229 H229 119.9 . . ?
C230 C229 H229 119.9 . . ?
C225 C230 C229 120.1(3) . . ?
C225 C230 H230 119.9 . . ?
C229 C230 H230 119.9 . . ?
C232 C231 C236 118.3(3) . . ?
C232 C231 C409 124.1(3) . . ?
C236 C231 C409 117.5(3) . . ?
C233 C232 C231 120.6(4) . . ?
C233 C232 H232 119.7 . . ?
C231 C232 H232 119.7 . . ?
C234 C233 C232 120.4(4) . . ?
C234 C233 H233 119.8 . . ?
C232 C233 H233 119.8 . . ?
C233 C234 C235 119.6(3) . . ?
C233 C234 H234 120.2 . . ?
C235 C234 H234 120.2 . . ?
C234 C235 C236 120.7(4) . . ?
C234 C235 H235 119.7 . . ?
C236 C235 H235 119.7 . . ?
C235 C236 C231 120.3(3) . . ?
C235 C236 H236 119.8 . . ?
C231 C236 H236 119.8 . . ?
C238 C237 C242 117.9(3) . . ?
C238 C237 C412 118.6(3) . . ?
C242 C237 C412 123.4(3) . . ?
C237 C238 C239 121.0(3) . . ?
C237 C238 H238 119.5 . . ?
C239 C238 H238 119.5 . . ?
C240 C239 C238 119.9(4) . . ?
C240 C239 H239 120.0 . . ?
C238 C239 H239 120.0 . . ?
C241 C240 C239 119.8(4) . . ?
C241 C240 H240 120.1 . . ?
C239 C240 H240 120.1 . . ?
C240 C241 C242 120.4(4) . . ?
C240 C241 H241 119.8 . . ?
C242 C241 H241 119.8 . . ?
C241 C242 C237 120.9(3) . . ?
C241 C242 H242 119.5 . . ?
C237 C242 H242 119.5 . . ?
C254 C253 C258 120.0 . . ?
C254 C253 C410 122.1(3) . . ?
C258 C253 C410 117.4(3) . . ?
C255 C254 C253 120.0 . . ?
C255 C254 H254 120.0 . . ?
C253 C254 H254 120.0 . . ?
C254 C255 C256 120.0 . . ?
C254 C255 H255 120.0 . . ?
C256 C255 H255 120.0 . . ?
C257 C256 C255 120.0 . . ?
C257 C256 H256 120.0 . . ?
C255 C256 H256 120.0 . . ?
C256 C257 C258 120.0 . . ?
C256 C257 H257 120.0 . . ?
C258 C257 H257 120.0 . . ?
C257 C258 C253 120.0 . . ?
C257 C258 H258 120.0 . . ?
C253 C258 H258 120.0 . . ?
C244 C243 C248 120.0 . . ?
C244 C243 C410 122.3(4) . . ?
C248 C243 C410 117.7(4) . . ?
C243 C244 C245 120.0 . . ?
C243 C244 H244 120.0 . . ?
C245 C244 H244 120.0 . . ?
C244 C245 C246 120.0 . . ?
C244 C245 H245 120.0 . . ?
C246 C245 H245 120.0 . . ?
C247 C246 C245 120.0 . . ?
C247 C246 H246 120.0 . . ?
C245 C246 H246 120.0 . . ?
C246 C247 C248 120.0 . . ?
C246 C247 H247 120.0 . . ?
C248 C247 H247 120.0 . . ?
C247 C248 C243 120.0 . . ?
C247 C248 H248 120.0 . . ?
C243 C248 H248 120.0 . . ?
C25 N2 C21 111.0(2) . . ?
C25 N2 C29 111.9(3) . . ?
C21 N2 C29 105.9(2) . . ?
C25 N2 C17 106.6(2) . . ?
C21 N2 C17 111.2(3) . . ?
C29 N2 C17 110.3(3) . . ?
C18 C17 N2 115.4(3) . . ?
C18 C17 H17A 108.4 . . ?
N2 C17 H17A 108.4 . . ?
C18 C17 H17B 108.4 . . ?
N2 C17 H17B 108.4 . . ?
H17A C17 H17B 107.5 . . ?
C17 C18 C19 111.5(3) . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C20 C19 C18 112.2(3) . . ?
C20 C19 H19A 109.2 . . ?
C18 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C21 C22 115.3(3) . . ?
N2 C21 H21A 108.5 . . ?
C22 C21 H21A 108.5 . . ?
N2 C21 H21B 108.5 . . ?
C22 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 C23 110.9(3) . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 108.0 . . ?
C24 C23 C22 112.2(3) . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 C26 115.9(3) . . ?
N2 C25 H25A 108.3 . . ?
C26 C25 H25A 108.3 . . ?
N2 C25 H25B 108.3 . . ?
C26 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 C27 110.8(3) . . ?
C25 C26 H26A 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C28 C27 C26 115.2(3) . . ?
C28 C27 H27A 108.5 . . ?
C26 C27 H27A 108.5 . . ?
C28 C27 H27B 108.5 . . ?
C26 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 C29 C30 114.5(3) . . ?
N2 C29 H29A 108.6 . . ?
C30 C29 H29A 108.6 . . ?
N2 C29 H29B 108.6 . . ?
C30 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
C31 C30 C29 110.8(3) . . ?
C31 C30 H30A 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 108.1 . . ?
C32 C31 C30 114.0(4) . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31B 108.8 . . ?
C30 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O1L S1 C2LA 108.9(3) . . ?
O1L S1 C1LA 105.0(3) . . ?
C2LA S1 C1LA 105.2(5) . . ?
O1L S1 C2LB 111.7(4) . . ?
C2LA S1 C2LB 52.9(6) . . ?
C1LA S1 C2LB 141.7(5) . . ?
O1L S1 C1LB 101.5(4) . . ?
C2LA S1 C1LB 32.6(5) . . ?
C1LA S1 C1LB 76.8(5) . . ?
C2LB S1 C1LB 85.4(6) . . ?
S1 C1LA H1L1 109.5 . . ?
S1 C1LA H1L2 109.5 . . ?
H1L1 C1LA H1L2 109.5 . . ?
S1 C1LA H1L3 109.5 . . ?
H1L1 C1LA H1L3 109.5 . . ?
H1L2 C1LA H1L3 109.5 . . ?
S1 C2LA H2L1 109.5 . . ?
S1 C2LA H2L2 109.5 . . ?
H2L1 C2LA H2L2 109.5 . . ?
S1 C2LA H2L3 109.5 . . ?
H2L1 C2LA H2L3 109.5 . . ?
H2L2 C2LA H2L3 109.5 . . ?
S1 C1LB H1L4 109.5 . . ?
S1 C1LB H1L5 109.5 . . ?
H1L4 C1LB H1L5 109.5 . . ?
S1 C1LB H1L6 109.5 . . ?
H1L4 C1LB H1L6 109.5 . . ?
H1L5 C1LB H1L6 109.5 . . ?
S1 C2LB H2L4 109.5 . . ?
S1 C2LB H2L5 109.5 . . ?
H2L4 C2LB H2L5 109.5 . . ?
S1 C2LB H2L6 109.5 . . ?
H2L4 C2LB H2L6 109.5 . . ?
H2L5 C2LB H2L6 109.5 . . ?
C4L S2A O2L 112.7(5) . . ?
C4L S2A C3L 106.4(4) . . ?
O2L S2A C3L 108.3(5) . . ?
C4L S2B O2L 112.2(3) . . ?
C4L S2B C3L 105.2(2) . . ?
O2L S2B C3L 98.1(4) . . ?
S2A O2L S2B 42.4(2) . . ?
S2A C3L S2B 40.1(2) . . ?
S2B C4L S2A 46.98(19) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O2 2.355(2) . ?
Eu1 O4 2.368(2) . ?
Eu1 O7 2.379(2) . ?
Eu1 O6 2.387(2) . ?
Eu1 O1 2.392(2) . ?
Eu1 O5 2.398(2) . ?
Eu1 O8 2.408(2) . ?
Eu1 O3 2.418(2) . ?
O1 C301 1.269(4) . ?
O2 C303 1.268(4) . ?
O3 C304 1.260(4) . ?
O4 C306 1.271(3) . ?
O5 C307 1.259(4) . ?
O6 C309 1.268(4) . ?
O7 C310 1.260(4) . ?
O8 C312 1.269(4) . ?
C301 C302 1.403(4) . ?
C301 C101 1.506(4) . ?
C302 C303 1.406(4) . ?
C302 H302 0.9500 . ?
C303 C107 1.497(4) . ?
C304 C305 1.415(4) . ?
C304 C113 1.505(4) . ?
C305 C306 1.390(4) . ?
C305 H305 0.9500 . ?
C306 C119 1.503(4) . ?
C307 C308 1.409(5) . ?
C307 C125 1.506(5) . ?
C308 C309 1.394(5) . ?
C308 H308 0.9500 . ?
C309 C131 1.508(4) . ?
C310 C311 1.409(4) . ?
C310 C137 1.500(4) . ?
C311 C312 1.402(4) . ?
C311 H311 0.9500 . ?
C312 C143 1.510(4) . ?
C101 C102 1.390(5) . ?
C101 C106 1.397(5) . ?
C102 C103 1.387(5) . ?
C102 H102 0.9500 . ?
C103 C104 1.381(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.383(6) . ?
C104 H104 0.9500 . ?
C105 C106 1.392(5) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C108 1.388(4) . ?
C107 C112 1.394(5) . ?
C108 C109 1.385(5) . ?
C108 H108 0.9500 . ?
C109 C110 1.383(5) . ?
C109 H109 0.9500 . ?
C110 C111 1.380(5) . ?
C110 H110 0.9500 . ?
C111 C112 1.385(5) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C118 1.389(4) . ?
C113 C114 1.391(4) . ?
C114 C115 1.392(5) . ?
C114 H114 0.9500 . ?
C115 C116 1.380(5) . ?
C115 H115 0.9500 . ?
C116 C117 1.384(5) . ?
C116 H116 0.9500 . ?
C117 C118 1.385(5) . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
C119 C120 1.386(5) . ?
C119 C124 1.398(4) . ?
C120 C121 1.387(5) . ?
C120 H120 0.9500 . ?
C121 C122 1.378(5) . ?
C121 H121 0.9500 . ?
C122 C123 1.380(6) . ?
C122 H122 0.9500 . ?
C123 C124 1.388(5) . ?
C123 H123 0.9500 . ?
C124 H124 0.9500 . ?
C125 C126 1.385(5) . ?
C125 C130 1.398(5) . ?
C126 C127 1.389(5) . ?
C126 H126 0.9500 . ?
C127 C128 1.375(6) . ?
C127 H127 0.9500 . ?
C128 C129 1.383(6) . ?
C128 H128 0.9500 . ?
C129 C130 1.387(5) . ?
C129 H129 0.9500 . ?
C130 H130 0.9500 . ?
C131 C136 1.371(5) . ?
C131 C132 1.385(5) . ?
C132 C133 1.386(5) . ?
C132 H132 0.9500 . ?
C133 C134 1.369(6) . ?
C133 H133 0.9500 . ?
C134 C135 1.365(6) . ?
C134 H134 0.9500 . ?
C135 C136 1.386(5) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
C137 C142 1.394(4) . ?
C137 C138 1.397(5) . ?
C138 C139 1.383(5) . ?
C138 H138 0.9500 . ?
C139 C140 1.383(5) . ?
C139 H139 0.9500 . ?
C140 C141 1.376(5) . ?
C140 H140 0.9500 . ?
C141 C142 1.390(5) . ?
C141 H141 0.9500 . ?
C142 H142 0.9500 . ?
C143 C148 1.394(5) . ?
C143 C144 1.395(5) . ?
C144 C145 1.389(5) . ?
C144 H144 0.9500 . ?
C145 C146 1.383(6) . ?
C145 H145 0.9500 . ?
C146 C147 1.377(6) . ?
C146 H146 0.9500 . ?
C147 C148 1.386(5) . ?
C147 H147 0.9500 . ?
C148 H148 0.9500 . ?
N1 C13 1.504(5) . ?
N1 C5 1.520(5) . ?
N1 C1A 1.524(4) . ?
N1 C9 1.531(5) . ?
C1A C2A 1.471(10) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
C2A C3A 1.533(11) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
C3A C4A 1.502(13) . ?
C3A H3A1 0.9900 . ?
C3A H3A2 0.9900 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
C2B C3B 1.543(9) . ?
C2B H2B1 0.9900 . ?
C2B H2B2 0.9900 . ?
C3B C4B 1.502(11) . ?
C3B H3B1 0.9900 . ?
C3B H3B2 0.9900 . ?
C4B H4B1 0.9800 . ?
C4B H4B2 0.9800 . ?
C4B H4B3 0.9800 . ?
C5 C6 1.517(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.511(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.483(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.525(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.537(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.479(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.534(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.512(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.544(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
Eu2 O12 2.376(2) . ?
Eu2 O14 2.377(2) . ?
Eu2 O10 2.387(2) . ?
Eu2 O15 2.393(2) . ?
Eu2 O16 2.407(2) . ?
Eu2 O9 2.408(2) . ?
Eu2 O11 2.409(2) . ?
Eu2 O13 2.423(2) . ?
O9 C401 1.273(4) . ?
O10 C403 1.260(4) . ?
O11 C404 1.268(4) . ?
O12 C406 1.262(4) . ?
O13 C407 1.270(4) . ?
O14 C409 1.269(4) . ?
O15 C410 1.265(4) . ?
O16 C412 1.266(4) . ?
C401 C402 1.398(4) . ?
C401 C207 1.510(4) . ?
C402 C403 1.409(4) . ?
C402 H402 0.9500 . ?
C403 C201 1.503(4) . ?
C404 C405 1.397(4) . ?
C404 C213 1.508(4) . ?
C405 C406 1.401(4) . ?
C405 H405 0.9500 . ?
C406 C219 1.504(4) . ?
C407 C408 1.408(4) . ?
C407 C225 1.498(4) . ?
C408 C409 1.395(5) . ?
C408 H408 0.9500 . ?
C409 C231 1.511(4) . ?
C410 C411 1.397(5) . ?
C410 C243 1.430(4) . ?
C410 C253 1.612(4) . ?
C411 C412 1.405(4) . ?
C411 H411 0.9500 . ?
C412 C237 1.506(4) . ?
C201 C202 1.389(4) . ?
C201 C206 1.391(4) . ?
C202 C203 1.387(5) . ?
C202 H202 0.9500 . ?
C203 C204 1.374(5) . ?
C203 H203 0.9500 . ?
C204 C205 1.375(5) . ?
C204 H204 0.9500 . ?
C205 C206 1.385(5) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C207 C208 1.390(5) . ?
C207 C212 1.400(5) . ?
C208 C209 1.388(5) . ?
C208 H208 0.9500 . ?
C209 C210 1.386(6) . ?
C209 H209 0.9500 . ?
C210 C211 1.378(6) . ?
C210 H210 0.9500 . ?
C211 C212 1.394(4) . ?
C211 H211 0.9500 . ?
C212 H212 0.9500 . ?
C213 C218 1.390(5) . ?
C213 C214 1.399(5) . ?
C214 C215 1.388(5) . ?
C214 H214 0.9500 . ?
C215 C216 1.383(6) . ?
C215 H215 0.9500 . ?
C216 C217 1.376(6) . ?
C216 H216 0.9500 . ?
C217 C218 1.383(5) . ?
C217 H217 0.9500 . ?
C218 H218 0.9500 . ?
C219 C220 1.390(5) . ?
C219 C224 1.395(5) . ?
C220 C221 1.386(5) . ?
C220 H220 0.9500 . ?
C221 C222 1.384(6) . ?
C221 H221 0.9500 . ?
C222 C223 1.379(6) . ?
C222 H222 0.9500 . ?
C223 C224 1.388(5) . ?
C223 H223 0.9500 . ?
C224 H224 0.9500 . ?
C225 C230 1.389(5) . ?
C225 C226 1.403(5) . ?
C226 C227 1.381(5) . ?
C226 H226 0.9500 . ?
C227 C228 1.364(6) . ?
C227 H227 0.9500 . ?
C228 C229 1.386(5) . ?
C228 H228 0.9500 . ?
C229 C230 1.390(5) . ?
C229 H229 0.9500 . ?
C230 H230 0.9500 . ?
C231 C232 1.390(5) . ?
C231 C236 1.397(5) . ?
C232 C233 1.389(5) . ?
C232 H232 0.9500 . ?
C233 C234 1.374(6) . ?
C233 H233 0.9500 . ?
C234 C235 1.374(5) . ?
C234 H234 0.9500 . ?
C235 C236 1.384(5) . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
C237 C238 1.382(5) . ?
C237 C242 1.389(4) . ?
C238 C239 1.388(5) . ?
C238 H238 0.9500 . ?
C239 C240 1.377(6) . ?
C239 H239 0.9500 . ?
C240 C241 1.363(6) . ?
C240 H240 0.9500 . ?
C241 C242 1.384(5) . ?
C241 H241 0.9500 . ?
C242 H242 0.9500 . ?
C253 C254 1.3900 . ?
C253 C258 1.3900 . ?
C254 C255 1.3900 . ?
C254 H254 0.9500 . ?
C255 C256 1.3900 . ?
C255 H255 0.9500 . ?
C256 C257 1.3900 . ?
C256 H256 0.9500 . ?
C257 C258 1.3900 . ?
C257 H257 0.9500 . ?
C258 H258 0.9500 . ?
C243 C244 1.3900 . ?
C243 C248 1.3900 . ?
C244 C245 1.3900 . ?
C244 H244 0.9500 . ?
C245 C246 1.3900 . ?
C245 H245 0.9500 . ?
C246 C247 1.3900 . ?
C246 H246 0.9500 . ?
C247 C248 1.3900 . ?
C247 H247 0.9500 . ?
C248 H248 0.9500 . ?
N2 C25 1.510(4) . ?
N2 C21 1.521(4) . ?
N2 C29 1.523(4) . ?
N2 C17 1.529(4) . ?
C17 C18 1.519(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.535(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.518(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.526(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.529(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.523(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.521(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.529(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.509(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.528(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.522(5) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.500(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
S1 O1L 1.489(4) . ?
S1 C2LA 1.651(8) . ?
S1 C1LA 1.760(7) . ?
S1 C2LB 1.930(13) . ?
S1 C1LB 2.001(11) . ?
C1LA H1L1 0.9800 . ?
C1LA H1L2 0.9800 . ?
C1LA H1L3 0.9800 . ?
C2LA H2L1 0.9800 . ?
C2LA H2L2 0.9800 . ?
C2LA H2L3 0.9800 . ?
C1LB H1L4 0.9800 . ?
C1LB H1L5 0.9800 . ?
C1LB H1L6 0.9800 . ?
C2LB H2L4 0.9800 . ?
C2LB H2L5 0.9800 . ?
C2LB H2L6 0.9800 . ?
S2A C4L 1.578(8) . ?
S2A O2L 1.619(8) . ?
S2A C3L 1.702(9) . ?
S2B C4L 1.465(3) . ?
S2B O2L 1.736(6) . ?
S2B C3L 1.830(7) . ?
