#------------------------------------------------------------------------------
#$Date: 2019-10-14 10:15:40 +0300 (Mon, 14 Oct 2019) $
#$Revision: 219327 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/45/7234576.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_7234576
loop_
_publ_author_name
'Xiaoping Yang'
'Shiqing Wang'
'Lijie Zhang'
'Shaoming Huang'
'Zongping Li'
'Chengri Wang'
'Ting Zhu'
'Le Bo'
_publ_section_title
;
 First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a
 long-chain Schiff base ligand
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1589
_journal_page_last               1593
_journal_paper_doi               10.1039/C5TC04103A
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C254 H320 Cd18 Cl6 N18 O94 Yb6'
_chemical_formula_sum            'C254 H320 Cd18 Cl6 N18 O94 Yb6'
_chemical_formula_weight         8403.42
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 113.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   41.918(8)
_cell_length_b                   23.335(5)
_cell_length_c                   41.805(8)
_cell_measurement_reflns_used    36382
_cell_measurement_temperature    190(1)
_cell_measurement_theta_max      28.3368
_cell_measurement_theta_min      1.1610
_cell_volume                     37466(16)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            32716
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    2.588
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.526709
_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    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             16432
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.424
_refine_diff_density_min         -1.526
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1793
_refine_ls_number_reflns         32716
_refine_ls_number_restraints     1194
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0473P)²+57.8951P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1036
_reflns_number_gt                25397
_reflns_number_total             32716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-1589.cif
_cod_data_source_block           complex-3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        37467(13)
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7234576
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Yb1 Yb 0.134017(6) -0.509870(10) 0.235700(7) 0.01699(6) Uani 1 1 d U . .
Yb2 Yb 0.115919(6) -0.369245(10) 0.433930(7) 0.01943(7) Uani 1 1 d U . .
Yb3 Yb 0.124044(6) -0.106823(11) 0.261761(7) 0.02143(7) Uani 1 1 d U . .
Cd1 Cd 0.118455(12) -0.535792(18) 0.316367(12) 0.02573(11) Uani 1 1 d U . .
Cd2 Cd 0.197985(15) -0.58298(2) 0.421748(16) 0.04445(15) Uani 1 1 d U . .
Cd3 Cd 0.122271(11) -0.524994(18) 0.429117(12) 0.02414(11) Uani 1 1 d U . .
Cd4 Cd 0.114826(11) -0.222354(17) 0.399740(12) 0.02266(10) Uani 1 1 d U . .
Cd5 Cd 0.199944(13) -0.08493(2) 0.420125(14) 0.03754(13) Uani 1 1 d U . .
Cd6 Cd 0.126065(11) -0.048093(18) 0.342748(12) 0.02383(10) Uani 1 1 d U . .
Cd7 Cd 0.128372(11) -0.233894(17) 0.211504(11) 0.02018(10) Uani 1 1 d U . .
Cd8 Cd 0.215017(11) -0.322432(17) 0.196031(12) 0.02166(10) Uani 1 1 d U . .
Cd9 Cd 0.144326(11) -0.419724(17) 0.170219(11) 0.02035(10) Uani 1 1 d U . .
Cl1 Cl 0.26670(4) -0.37088(6) 0.19535(4) 0.0297(4) Uani 1 1 d U . .
Cl2 Cl 0.24789(5) -0.01705(8) 0.42908(6) 0.0620(6) Uani 1 1 d U . .
Cl3 Cl 0.12992(5) -0.31706(7) 0.37907(5) 0.0416(4) Uani 1 1 d U . .
N1 N 0.10931(12) -0.6303(2) 0.32317(13) 0.0225(11) Uani 1 1 d U . .
N2 N 0.08429(13) -0.5876(2) 0.43609(14) 0.0288(12) Uani 1 1 d U . .
N3 N 0.08349(12) -0.3455(2) 0.47078(13) 0.0232(11) Uani 1 1 d U . .
N4 N 0.10380(12) -0.1592(2) 0.43649(13) 0.0249(12) Uani 1 1 d U . .
N5 N 0.08569(14) 0.0135(2) 0.34624(15) 0.0360(14) Uani 1 1 d U . .
N6 N 0.09599(13) -0.0384(2) 0.21330(13) 0.0257(12) Uani 1 1 d U . .
N7 N 0.11992(11) -0.20377(19) 0.15620(12) 0.0204(11) Uani 1 1 d U . .
N8 N 0.10436(12) -0.41927(19) 0.11500(13) 0.0206(11) Uani 1 1 d U . .
N9 N 0.10701(12) -0.60274(19) 0.20656(13) 0.0222(11) Uani 1 1 d U . .
O1 O 0.18292(10) -0.58133(15) 0.24898(11) 0.0218(9) Uani 1 1 d U . .
O2 O 0.14049(9) -0.57256(15) 0.27883(10) 0.0177(8) Uani 1 1 d U . .
O3 O 0.18450(12) -0.68379(19) 0.40734(12) 0.0396(12) Uani 1 1 d U . .
O4 O 0.14715(11) -0.60806(17) 0.42232(11) 0.0320(10) Uani 1 1 d U . .
O5 O 0.15091(11) -0.54052(16) 0.49356(11) 0.0282(10) Uani 1 1 d U . .
O6 O 0.11493(10) -0.44977(15) 0.46270(10) 0.0231(9) Uani 1 1 d U . .
O7 O 0.16339(10) -0.35292(16) 0.49408(11) 0.0274(10) Uani 1 1 d U . .
O8 O 0.12848(9) -0.27757(15) 0.44936(10) 0.0222(9) Uani 1 1 d U . .
O9 O 0.18285(14) -0.0587(2) 0.46644(12) 0.0493(13) Uani 1 1 d U . .
O10 O 0.14944(11) -0.03665(17) 0.40029(11) 0.0324(10) Uani 1 1 d U . .
O11 O 0.15532(11) 0.04409(16) 0.34036(11) 0.0291(10) Uani 1 1 d U . .
O12 O 0.12241(10) -0.02344(16) 0.28750(11) 0.0259(10) Uani 1 1 d U . .
O13 O 0.17265(10) -0.04742(16) 0.25430(11) 0.0280(10) Uani 1 1 d U . .
O14 O 0.14111(10) -0.13677(15) 0.22034(11) 0.0222(9) Uani 1 1 d U . .
O15 O 0.20334(10) -0.26113(16) 0.14573(11) 0.0264(10) Uani 1 1 d U . .
O16 O 0.16835(10) -0.35091(16) 0.14992(10) 0.0224(9) Uani 1 1 d U . .
O17 O 0.18051(10) -0.48796(16) 0.15243(11) 0.0262(10) Uani 1 1 d U . .
O18 O 0.13962(10) -0.51480(15) 0.18412(11) 0.0221(9) Uani 1 1 d U . .
O19 O 0.07847(10) -0.50445(15) 0.22639(10) 0.0209(9) Uani 1 1 d U . .
O20 O 0.06508(10) -0.51689(17) 0.27278(11) 0.0273(10) Uani 1 1 d U . .
O21 O 0.18083(12) -0.5630(2) 0.36126(12) 0.0416(12) Uani 1 1 d U . .
O22 O 0.23499(12) -0.5763(2) 0.39471(14) 0.0535(14) Uani 1 1 d U . .
O23 O 0.13822(11) -0.45654(16) 0.28276(11) 0.0286(10) Uani 1 1 d U . .
O24 O 0.14740(13) -0.4548(2) 0.33786(13) 0.0482(13) Uani 1 1 d U . .
O25 O 0.09719(11) -0.51468(17) 0.35940(11) 0.0313(10) Uani 1 1 d U . .
O26 O 0.09729(10) -0.44594(16) 0.39502(10) 0.0246(9) Uani 1 1 d U . .
O27 O 0.17450(10) -0.49850(17) 0.42978(12) 0.0303(10) Uani 1 1 d U . .
O28 O 0.16713(11) -0.40644(17) 0.43645(11) 0.0303(10) Uani 1 1 d U . .
O29 O 0.06381(10) -0.34009(16) 0.39693(10) 0.0229(9) Uani 1 1 d U . .
O30 O 0.05709(10) -0.25246(16) 0.37296(11) 0.0250(9) Uani 1 1 d U . .
O31 O 0.17109(11) -0.18216(17) 0.41973(13) 0.0365(12) Uani 1 1 d U . .
O32 O 0.22723(11) -0.16451(19) 0.44505(15) 0.0530(15) Uani 1 1 d U . .
O33 O 0.10408(10) -0.15418(16) 0.35567(11) 0.0255(10) Uani 1 1 d U . .
O34 O 0.10294(10) -0.12284(16) 0.30589(11) 0.0270(10) Uani 1 1 d U . .
O35 O 0.17897(11) -0.09114(18) 0.36104(12) 0.0338(11) Uani 1 1 d U . .
O36 O 0.17657(11) -0.11649(18) 0.30859(12) 0.0348(11) Uani 1 1 d U . .
O37 O 0.07184(10) -0.14311(16) 0.23051(11) 0.0245(9) Uani 1 1 d U . .
O38 O 0.06978(10) -0.22252(16) 0.20019(11) 0.0245(9) Uani 1 1 d U . .
O39 O 0.13206(12) -0.2036(2) 0.26924(13) 0.0406(12) Uani 1 1 d U . .
O40 O 0.16128(13) -0.2784(2) 0.26812(14) 0.0505(13) Uani 1 1 d U . .
O41 O 0.18759(10) -0.24605(17) 0.21545(11) 0.0284(10) Uani 1 1 d U . .
O42 O 0.24334(10) -0.26348(17) 0.24228(11) 0.0279(10) Uani 1 1 d U . .
O43 O 0.11790(10) -0.33011(16) 0.19486(11) 0.0264(10) Uani 1 1 d U . .
O44 O 0.11707(9) -0.42102(15) 0.20760(10) 0.0191(9) Uani 1 1 d U . .
O45 O 0.19326(10) -0.39683(16) 0.21704(11) 0.0230(9) Uani 1 1 d U . .
O46 O 0.18693(10) -0.46275(16) 0.25250(11) 0.0251(9) Uani 1 1 d U . .
O47 O 0.23213(16) -0.6203(3) 0.47576(17) 0.088(2) Uani 1 1 d U . .
H47A H 0.2436 -0.6472 0.4734 0.132 Uiso 1 1 calc R . .
C1 C 0.2093(2) -0.7229(3) 0.4043(2) 0.055(2) Uani 1 1 d U . .
H1A H 0.1973 -0.7525 0.3879 0.082 Uiso 1 1 calc R . .
H1B H 0.2226 -0.7398 0.4266 0.082 Uiso 1 1 calc R . .
H1C H 0.2246 -0.7028 0.3962 0.082 Uiso 1 1 calc R . .
C2 C 0.15897(18) -0.7045(3) 0.41598(19) 0.0412(18) Uani 1 1 d U . .
C3 C 0.1518(2) -0.7626(3) 0.4168(2) 0.053(2) Uani 1 1 d U . .
H3A H 0.1649 -0.7899 0.4113 0.063 Uiso 1 1 calc R . .
C4 C 0.1248(2) -0.7792(4) 0.4261(3) 0.075(3) Uani 1 1 d U . .
H4A H 0.1204 -0.8180 0.4274 0.090 Uiso 1 1 calc R . .
C5 C 0.1047(2) -0.7396(3) 0.4331(3) 0.066(3) Uani 1 1 d U . .
H5A H 0.0866 -0.7515 0.4390 0.079 Uiso 1 1 calc R . .
C6 C 0.11117(18) -0.6806(3) 0.4315(2) 0.0382(17) Uani 1 1 d U . .
C7 C 0.13846(17) -0.6618(3) 0.42351(18) 0.0353(17) Uani 1 1 d U . .
C8 C 0.08624(18) -0.6428(3) 0.4373(2) 0.0406(18) Uani 1 1 d U . .
H8A H 0.0693 -0.6612 0.4427 0.049 Uiso 1 1 calc R . .
C9 C 0.05566(16) -0.5607(3) 0.44160(17) 0.0300(15) Uani 1 1 d U . .
H9A H 0.0645 -0.5304 0.4588 0.036 Uiso 1 1 calc R . .
H9B H 0.0441 -0.5888 0.4504 0.036 Uiso 1 1 calc R . .
C10 C 0.02988(16) -0.5360(3) 0.40725(17) 0.0287(15) Uani 1 1 d U . .
H10A H 0.0428 -0.5143 0.3965 0.034 Uiso 1 1 calc R . .
H10B H 0.0185 -0.5674 0.3917 0.034 Uiso 1 1 calc R . .
C11 C 0.00204(15) -0.4973(3) 0.41030(17) 0.0282(15) Uani 1 1 d U . .
H11A H -0.0102 -0.5180 0.4221 0.034 Uiso 1 1 calc R . .
H11B H 0.0132 -0.4643 0.4245 0.034 Uiso 1 1 calc R . .
C12 C -0.02370(16) -0.4770(3) 0.37561(17) 0.0314(15) Uani 1 1 d U . .
H12A H -0.0360 -0.5101 0.3623 0.038 Uiso 1 1 calc R . .
H12B H -0.0111 -0.4596 0.3631 0.038 Uiso 1 1 calc R . .
C13 C -0.05009(16) -0.4346(3) 0.37711(18) 0.0331(16) Uani 1 1 d U . .
H13A H -0.0636 -0.4206 0.3537 0.050 Uiso 1 1 calc R . .
H13B H -0.0379 -0.4022 0.3912 0.050 Uiso 1 1 calc R . .
C14 C 0.17214(18) -0.5888(3) 0.50993(18) 0.0411(18) Uani 1 1 d U . .
H14A H 0.1889 -0.5779 0.5326 0.062 Uiso 1 1 calc R . .
H14B H 0.1840 -0.6019 0.4958 0.062 Uiso 1 1 calc R . .
H14C H 0.1578 -0.6190 0.5124 0.062 Uiso 1 1 calc R . .
C15 C 0.13719(15) -0.5083(2) 0.51289(16) 0.0230(13) Uani 1 1 d U . .
C16 C 0.14131(16) -0.5224(3) 0.54623(17) 0.0293(15) Uani 1 1 d U . .
H16A H 0.1531 -0.5556 0.5568 0.035 Uiso 1 1 calc R . .
C17 C 0.12767(17) -0.4865(3) 0.56393(17) 0.0333(16) Uani 1 1 d U . .
H17A H 0.1306 -0.4953 0.5866 0.040 Uiso 1 1 calc R . .
C18 C 0.10975(17) -0.4375(3) 0.54795(17) 0.0306(15) Uani 1 1 d U . .
H18A H 0.1006 -0.4137 0.5600 0.037 Uiso 1 1 calc R . .
C19 C 0.10523(14) -0.4231(2) 0.51377(15) 0.0213(13) Uani 1 1 d U . .
C20 C 0.11902(14) -0.4596(2) 0.49573(15) 0.0220(13) Uani 1 1 d U . .
C21 C 0.08641(15) -0.3708(2) 0.49908(16) 0.0254(14) Uani 1 1 d U . .
H21A H 0.0751 -0.3535 0.5117 0.030 Uiso 1 1 calc R . .
C22 C 0.06188(14) -0.2931(2) 0.46267(16) 0.0246(14) Uani 1 1 d U . .
H22A H 0.0678 -0.2691 0.4469 0.029 Uiso 1 1 calc R . .
H22B H 0.0667 -0.2716 0.4840 0.029 Uiso 1 1 calc R . .
C23 C 0.02302(14) -0.3085(2) 0.44576(17) 0.0254(14) Uani 1 1 d U . .
H23A H 0.0194 -0.3379 0.4283 0.030 Uiso 1 1 calc R . .
H23B H 0.0159 -0.3239 0.4634 0.030 Uiso 1 1 calc R . .
C24 C 0.00044(15) -0.2566(2) 0.42867(16) 0.0261(14) Uani 1 1 d U . .
H24A H 0.0074 -0.2414 0.4108 0.031 Uiso 1 1 calc R . .
H24B H 0.0043 -0.2269 0.4461 0.031 Uiso 1 1 calc R . .
C25 C -0.03861(15) -0.2713(3) 0.41206(16) 0.0269(14) Uani 1 1 d U . .
H25A H -0.0416 -0.3076 0.3998 0.032 Uiso 1 1 calc R . .
H25B H -0.0469 -0.2762 0.4305 0.032 Uiso 1 1 calc R . .
C26 C -0.06067(14) -0.2258(2) 0.38662(16) 0.0238(14) Uani 1 1 d U . .
H26B H -0.0568 -0.1889 0.3983 0.036 Uiso 1 1 calc R . .
H26C H -0.0538 -0.2228 0.3671 0.036 Uiso 1 1 calc R . .
C27 C 0.18963(16) -0.3929(3) 0.51648(18) 0.0366(17) Uani 1 1 d U . .
H27A H 0.2086 -0.3718 0.5333 0.055 Uiso 1 1 calc R . .
H27B H 0.1981 -0.4159 0.5025 0.055 Uiso 1 1 calc R . .
H27C H 0.1794 -0.4172 0.5284 0.055 Uiso 1 1 calc R . .
C28 C 0.16377(17) -0.2984(3) 0.50769(18) 0.0336(16) Uani 1 1 d U . .
C29 C 0.18146(18) -0.2837(3) 0.54210(18) 0.0424(18) Uani 1 1 d U . .
H29A H 0.1952 -0.3104 0.5583 0.051 Uiso 1 1 calc R . .
C30 C 0.1783(2) -0.2280(3) 0.5520(2) 0.055(2) Uani 1 1 d U . .
H30A H 0.1902 -0.2170 0.5752 0.066 Uiso 1 1 calc R . .
C31 C 0.15790(19) -0.1891(3) 0.52814(18) 0.0447(19) Uani 1 1 d U . .
H31A H 0.1557 -0.1523 0.5356 0.054 Uiso 1 1 calc R . .
C32 C 0.14031(16) -0.2032(3) 0.49292(18) 0.0328(16) Uani 1 1 d U . .
C33 C 0.14358(15) -0.2594(2) 0.48214(17) 0.0262(14) Uani 1 1 d U . .
C34 C 0.11859(16) -0.1589(2) 0.46946(17) 0.0283(15) Uani 1 1 d U . .
H34A H 0.1152 -0.1260 0.4803 0.034 Uiso 1 1 calc R . .
C35 C 0.08172(15) -0.1097(2) 0.41960(17) 0.0269(14) Uani 1 1 d U . .
H35B H 0.0877 -0.0959 0.4008 0.040 Uiso 1 1 calc R . .
H35C H 0.0861 -0.0790 0.4365 0.040 Uiso 1 1 calc R . .
C36 C 0.2043(2) -0.0697(4) 0.5026(2) 0.068(3) Uani 1 1 d U . .
H36A H 0.1908 -0.0638 0.5163 0.101 Uiso 1 1 calc R . .
H36B H 0.2238 -0.0440 0.5104 0.101 Uiso 1 1 calc R . .
H36C H 0.2124 -0.1086 0.5053 0.101 Uiso 1 1 calc R . .
C37 C 0.1552(2) -0.0214(3) 0.45769(18) 0.0408(18) Uani 1 1 d U . .
C38 C 0.1440(2) 0.0023(3) 0.4812(2) 0.056(2) Uani 1 1 d U . .
H38A H 0.1553 -0.0063 0.5049 0.068 Uiso 1 1 calc R . .
C39 C 0.1158(3) 0.0392(4) 0.4697(2) 0.066(3) Uani 1 1 d U . .
H39A H 0.1090 0.0569 0.4859 0.079 Uiso 1 1 calc R . .
C40 C 0.0977(2) 0.0503(3) 0.4347(2) 0.051(2) Uani 1 1 d U . .
H40A H 0.0784 0.0744 0.4274 0.061 Uiso 1 1 calc R . .
C41 C 0.10820(19) 0.0253(3) 0.41023(19) 0.0372(17) Uani 1 1 d U . .
C42 C 0.13724(17) -0.0114(3) 0.42107(17) 0.0296(15) Uani 1 1 d U . .
C43 C 0.08544(18) 0.0366(3) 0.37407(19) 0.0355(16) Uani 1 1 d U . .
H43A H 0.0684 0.0642 0.3706 0.043 Uiso 1 1 calc R . .
C44 C 0.0581(2) 0.0279(4) 0.3120(2) 0.058(2) Uani 1 1 d U . .
H44A H 0.0441 0.0591 0.3149 0.070 Uiso 1 1 calc R . .
H44B H 0.0686 0.0408 0.2964 0.070 Uiso 1 1 calc R . .
C45 C 0.0356(2) -0.0213(5) 0.2966(2) 0.076(3) Uani 1 1 d U . .
H45B H 0.0184 -0.0202 0.3067 0.115 Uiso 1 1 calc R A 1
H45C H 0.0502 -0.0542 0.3071 0.115 Uiso 1 1 calc R A 1
C46 C 0.0140(3) -0.0403(7) 0.2573(4) 0.060(5) Uani 0.566(16) 1 d PU . 1
H46A H 0.0231 -0.0174 0.2435 0.090 Uiso 0.566(16) 1 calc PR . 1
H46B H 0.0212 -0.0794 0.2559 0.090 Uiso 0.566(16) 1 calc PR . 1
C46' C 0.0121(3) 0.0076(6) 0.2585(4) 0.022(4) Uani 0.434(16) 1 d PU . 2
H46C H 0.0169 0.0482 0.2629 0.034 Uiso 0.434(16) 1 calc PR . 2
H46D H 0.0246 -0.0036 0.2444 0.034 Uiso 0.434(16) 1 calc PR . 2
C47 C 0.14169(15) 0.0692(2) 0.30750(16) 0.0262(14) Uani 1 1 d U . .
C48 C 0.14473(17) 0.1267(3) 0.30158(18) 0.0325(16) Uani 1 1 d U . .
H48A H 0.1557 0.1513 0.3203 0.039 Uiso 1 1 calc R . .
C49 C 0.13129(19) 0.1478(3) 0.2674(2) 0.0440(19) Uani 1 1 d U . .
H49A H 0.1328 0.1867 0.2634 0.053 Uiso 1 1 calc R . .
C50 C 0.11589(17) 0.1112(3) 0.23969(19) 0.0369(17) Uani 1 1 d U . .
H50A H 0.1072 0.1254 0.2170 0.044 Uiso 1 1 calc R . .
C51 C 0.11313(15) 0.0522(3) 0.24536(17) 0.0276(15) Uani 1 1 d U . .
C52 C 0.12552(15) 0.0307(2) 0.28007(16) 0.0227(14) Uani 1 1 d U . .
C53 C 0.09733(16) 0.0167(3) 0.21501(17) 0.0297(15) Uani 1 1 d U . .
H53A H 0.0867 0.0359 0.1939 0.036 Uiso 1 1 calc R . .
C54 C 0.07675(15) -0.0620(3) 0.17772(16) 0.0290(15) Uani 1 1 d U . .
H54A H 0.0820 -0.1025 0.1777 0.035 Uiso 1 1 calc R . .
H54B H 0.0844 -0.0428 0.1614 0.035 Uiso 1 1 calc R . .
C55 C 0.03792(15) -0.0544(3) 0.16596(17) 0.0307(15) Uani 1 1 d U . .
H55A H 0.0321 -0.0142 0.1609 0.037 Uiso 1 1 calc R . .
H55B H 0.0312 -0.0657 0.1847 0.037 Uiso 1 1 calc R . .
C56 C 0.01735(15) -0.0900(3) 0.13340(16) 0.0280(15) Uani 1 1 d U . .
H56A H 0.0250 -0.0802 0.1151 0.034 Uiso 1 1 calc R . .
H56B H 0.0223 -0.1303 0.1388 0.034 Uiso 1 1 calc R . .
C57 C -0.02165(16) -0.0803(3) 0.12015(17) 0.0307(15) Uani 1 1 d U . .
H57A H -0.0281 -0.0791 0.1400 0.037 Uiso 1 1 calc R . .
H57B H -0.0271 -0.0432 0.1087 0.037 Uiso 1 1 calc R . .
C58 C -0.04343(15) -0.1254(2) 0.09490(16) 0.0255(14) Uani 1 1 d U . .
H58B H -0.0400 -0.1620 0.1068 0.038 Uiso 1 1 calc R . .
H58C H -0.0359 -0.1292 0.0759 0.038 Uiso 1 1 calc R . .
C59 C 0.19659(17) -0.0073(3) 0.27735(19) 0.0398(18) Uani 1 1 d U . .
H59A H 0.2194 -0.0138 0.2778 0.060 Uiso 1 1 calc R . .
H59B H 0.1973 -0.0120 0.3004 0.060 Uiso 1 1 calc R . .
H59C H 0.1892 0.0310 0.2693 0.060 Uiso 1 1 calc R . .
C60 C 0.17457(15) -0.0554(3) 0.22253(17) 0.0258(14) Uani 1 1 d U . .
C61 C 0.19222(17) -0.0198(3) 0.20910(19) 0.0353(17) Uani 1 1 d U . .
H61A H 0.2044 0.0117 0.2217 0.042 Uiso 1 1 calc R . .
C62 C 0.19145(18) -0.0322(3) 0.1759(2) 0.0393(18) Uani 1 1 d U . .
H62A H 0.2030 -0.0083 0.1663 0.047 Uiso 1 1 calc R . .
C63 C 0.17377(17) -0.0793(3) 0.15751(19) 0.0344(16) Uani 1 1 d U . .
H63A H 0.1735 -0.0869 0.1356 0.041 Uiso 1 1 calc R . .
C64 C 0.15598(15) -0.1161(2) 0.17152(16) 0.0240(14) Uani 1 1 d U . .
C65 C 0.15703(14) -0.1048(2) 0.20518(16) 0.0213(13) Uani 1 1 d U . .
C66 C 0.13636(15) -0.1633(2) 0.14886(17) 0.0260(14) Uani 1 1 d U . .
H66A H 0.1359 -0.1637 0.1264 0.031 Uiso 1 1 calc R . .
C67 C 0.09902(14) -0.2416(2) 0.12667(16) 0.0231(13) Uani 1 1 d U . .
H67B H 0.1022 -0.2812 0.1343 0.035 Uiso 1 1 calc R . .
H67C H 0.1069 -0.2376 0.1079 0.035 Uiso 1 1 calc R . .
C68 C 0.22296(17) -0.2115(3) 0.14499(19) 0.0375(17) Uani 1 1 d U . .
H68A H 0.2075 -0.1824 0.1309 0.056 Uiso 1 1 calc R . .
H68B H 0.2394 -0.2213 0.1352 0.056 Uiso 1 1 calc R . .
H68C H 0.2351 -0.1973 0.1683 0.056 Uiso 1 1 calc R . .
C69 C 0.17620(15) -0.2779(3) 0.11514(16) 0.0259(14) Uani 1 1 d U . .
C70 C 0.16680(16) -0.2503(3) 0.08386(17) 0.0281(15) Uani 1 1 d U . .
H70A H 0.1795 -0.2185 0.0823 0.034 Uiso 1 1 calc R . .
C71 C 0.13879(17) -0.2685(3) 0.05441(18) 0.0345(16) Uani 1 1 d U . .
H71A H 0.1327 -0.2495 0.0332 0.041 Uiso 1 1 calc R . .
C72 C 0.12004(17) -0.3155(3) 0.05730(17) 0.0306(15) Uani 1 1 d U . .
H72A H 0.1012 -0.3283 0.0377 0.037 Uiso 1 1 calc R . .
C73 C 0.12886(16) -0.3443(2) 0.08932(16) 0.0243(14) Uani 1 1 d U . .
C74 C 0.15778(15) -0.3263(2) 0.11912(16) 0.0195(13) Uani 1 1 d U . .
C75 C 0.10445(16) -0.3891(2) 0.08925(17) 0.0254(14) Uani 1 1 d U . .
H75A H 0.0866 -0.3969 0.0677 0.031 Uiso 1 1 calc R . .
C76 C 0.07502(15) -0.4589(2) 0.10795(17) 0.0264(14) Uani 1 1 d U . .
H76B H 0.0837 -0.4958 0.1185 0.040 Uiso 1 1 calc R . .
H76C H 0.0628 -0.4643 0.0830 0.040 Uiso 1 1 calc R . .
C77 C 0.20642(15) -0.4735(3) 0.13895(17) 0.0287(15) Uani 1 1 d U . .
H77A H 0.2235 -0.5035 0.1446 0.043 Uiso 1 1 calc R . .
H77B H 0.2176 -0.4382 0.1492 0.043 Uiso 1 1 calc R . .
H77C H 0.1953 -0.4692 0.1141 0.043 Uiso 1 1 calc R . .
C78 C 0.17223(16) -0.5457(2) 0.15228(16) 0.0262(14) Uani 1 1 d U . .
C79 C 0.18401(16) -0.5879(3) 0.13695(17) 0.0307(15) Uani 1 1 d U . .
H79A H 0.1982 -0.5788 0.1254 0.037 Uiso 1 1 calc R . .
C80 C 0.17453(18) -0.6445(3) 0.13891(19) 0.0380(17) Uani 1 1 d U . .
H80A H 0.1830 -0.6736 0.1293 0.046 Uiso 1 1 calc R . .
C81 C 0.15261(17) -0.6574(3) 0.15507(18) 0.0337(16) Uani 1 1 d U . .
H81A H 0.1459 -0.6953 0.1558 0.040 Uiso 1 1 calc R . .
C82 C 0.14019(16) -0.6143(2) 0.17052(16) 0.0259(14) Uani 1 1 d U . .
C83 C 0.14993(14) -0.5575(2) 0.16956(15) 0.0192(13) Uani 1 1 d U . .
C84 C 0.11744(15) -0.6321(2) 0.18695(16) 0.0235(13) Uani 1 1 d U . .
H84A H 0.1094 -0.6696 0.1827 0.028 Uiso 1 1 calc R . .
C85 C 0.08161(15) -0.6317(2) 0.21770(16) 0.0243(14) Uani 1 1 d U . .
H85A H 0.0827 -0.6145 0.2393 0.029 Uiso 1 1 calc R . .
H85B H 0.0878 -0.6718 0.2222 0.029 Uiso 1 1 calc R . .
C86 C 0.04468(15) -0.6268(3) 0.19007(17) 0.0265(14) Uani 1 1 d U . .
H86A H 0.0405 -0.5876 0.1817 0.032 Uiso 1 1 calc R . .
H86B H 0.0424 -0.6511 0.1705 0.032 Uiso 1 1 calc R . .
C87 C 0.01728(15) -0.6437(3) 0.20349(17) 0.0281(15) Uani 1 1 d U . .
H87A H 0.0191 -0.6186 0.2226 0.034 Uiso 1 1 calc R . .
H87B H 0.0218 -0.6825 0.2125 0.034 Uiso 1 1 calc R . .
C88 C -0.01958(14) -0.6406(3) 0.17548(17) 0.0267(14) Uani 1 1 d U . .
H88A H -0.0232 -0.6724 0.1595 0.032 Uiso 1 1 calc R . .
H88B H -0.0221 -0.6054 0.1623 0.032 Uiso 1 1 calc R . .
C89 C -0.04739(15) -0.6423(3) 0.19039(17) 0.0280(15) Uani 1 1 d U . .
H89B H -0.0437 -0.6757 0.2053 0.042 Uiso 1 1 calc R . .
H89C H -0.0453 -0.6085 0.2046 0.042 Uiso 1 1 calc R . .
C90 C 0.21328(15) -0.5783(3) 0.24092(17) 0.0281(15) Uani 1 1 d U . .
H90A H 0.2299 -0.6066 0.2542 0.042 Uiso 1 1 calc R . .
H90B H 0.2235 -0.5409 0.2467 0.042 Uiso 1 1 calc R . .
H90C H 0.2066 -0.5853 0.2165 0.042 Uiso 1 1 calc R . .
C91 C 0.18024(14) -0.6300(2) 0.26679(15) 0.0192(13) Uani 1 1 d U . .
C92 C 0.19774(15) -0.6797(2) 0.26859(16) 0.0240(14) Uani 1 1 d U . .
H92A H 0.2126 -0.6831 0.2571 0.029 Uiso 1 1 calc R . .
C93 C 0.19326(15) -0.7260(2) 0.28776(18) 0.0298(15) Uani 1 1 d U . .
H93A H 0.2050 -0.7603 0.2892 0.036 Uiso 1 1 calc R . .
C94 C 0.17130(15) -0.7194(2) 0.30429(17) 0.0259(14) Uani 1 1 d U . .
H94A H 0.1690 -0.7497 0.3176 0.031 Uiso 1 1 calc R . .
C95 C 0.15200(14) -0.6693(2) 0.30225(15) 0.0192(13) Uani 1 1 d U . .
C96 C 0.15669(14) -0.6231(2) 0.28309(15) 0.0174(12) Uani 1 1 d U . .
C97 C 0.12765(14) -0.6706(2) 0.31890(16) 0.0232(14) Uani 1 1 d U . .
H97A H 0.1251 -0.7060 0.3278 0.028 Uiso 1 1 calc R . .
C98 C 0.08382(14) -0.6447(3) 0.33835(16) 0.0226(13) Uani 1 1 d U . .
H98B H 0.0858 -0.6176 0.3566 0.034 Uiso 1 1 calc R . .
H98C H 0.0885 -0.6828 0.3485 0.034 Uiso 1 1 calc R . .
C99 C 0.22325(19) -0.5448(3) 0.3375(2) 0.048(2) Uani 1 1 d U . .
H99A H 0.2091 -0.5636 0.3160 0.072 Uiso 1 1 calc R . .
H99B H 0.2472 -0.5555 0.3441 0.072 Uiso 1 1 calc R . .
H99C H 0.2209 -0.5041 0.3343 0.072 Uiso 1 1 calc R . .
C100 C 0.21167(18) -0.5623(3) 0.36524(18) 0.0352(16) Uani 1 1 d U . .
C101 C 0.21284(17) -0.4328(3) 0.41998(19) 0.0390(17) Uani 1 1 d U . .
H10C H 0.2163 -0.3920 0.4209 0.058 Uiso 1 1 calc R . .
H10D H 0.2079 -0.4462 0.3968 0.058 Uiso 1 1 calc R . .
H10E H 0.2335 -0.4511 0.4361 0.058 Uiso 1 1 calc R . .
C102 C 0.18314(16) -0.4466(3) 0.42942(17) 0.0299(15) Uani 1 1 d U . .
C103 C 0.06991(18) -0.4249(3) 0.33395(17) 0.0362(16) Uani 1 1 d U . .
H10F H 0.0661 -0.4439 0.3123 0.054 Uiso 1 1 calc R . .
H10G H 0.0832 -0.3906 0.3358 0.054 Uiso 1 1 calc R . .
H10H H 0.0479 -0.4153 0.3346 0.054 Uiso 1 1 calc R . .
C104 C 0.08975(15) -0.4643(2) 0.36411(16) 0.0219(13) Uani 1 1 d U . .
C105 C 0.00983(14) -0.3177(2) 0.35077(16) 0.0257(14) Uani 1 1 d U . .
H10I H 0.0048 -0.3563 0.3552 0.039 Uiso 1 1 calc R . .
H10J H 0.0078 -0.3146 0.3271 0.039 Uiso 1 1 calc R . .
H10K H -0.0064 -0.2920 0.3542 0.039 Uiso 1 1 calc R . .
C106 C 0.04640(15) -0.3022(2) 0.37553(16) 0.0245(14) Uani 1 1 d U . .
C107 C 0.20990(19) -0.2600(3) 0.4496(2) 0.055(2) Uani 1 1 d U . .
H10L H 0.1886 -0.2807 0.4444 0.083 Uiso 1 1 calc R . .
H10M H 0.2235 -0.2605 0.4743 0.083 Uiso 1 1 calc R . .
H10N H 0.2229 -0.2778 0.4378 0.083 Uiso 1 1 calc R . .
C108 C 0.20165(18) -0.1989(3) 0.4373(2) 0.0421(18) Uani 1 1 d U . .
C109 C 0.07636(17) -0.2134(3) 0.30537(18) 0.0350(16) Uani 1 1 d U . .
H10O H 0.0728 -0.2385 0.3218 0.053 Uiso 1 1 calc R . .
H10P H 0.0895 -0.2330 0.2945 0.053 Uiso 1 1 calc R . .
H10Q H 0.0542 -0.2020 0.2879 0.053 Uiso 1 1 calc R . .
C110 C 0.09581(15) -0.1617(3) 0.32383(17) 0.0255(14) Uani 1 1 d U . .
C111 C 0.22932(19) -0.1305(4) 0.3580(2) 0.063(2) Uani 1 1 d U . .
H11C H 0.2367 -0.1456 0.3407 0.094 Uiso 1 1 calc R . .
H11D H 0.2316 -0.1595 0.3751 0.094 Uiso 1 1 calc R . .
H11E H 0.2435 -0.0981 0.3693 0.094 Uiso 1 1 calc R . .
C112 C 0.19215(17) -0.1123(3) 0.34087(19) 0.0339(16) Uani 1 1 d U . .
C113 C 0.01809(16) -0.1925(3) 0.20600(18) 0.0347(16) Uani 1 1 d U . .
H11F H 0.0110 -0.1619 0.2171 0.052 Uiso 1 1 calc R . .
H11G H 0.0148 -0.2286 0.2153 0.052 Uiso 1 1 calc R . .
H11H H 0.0043 -0.1916 0.1813 0.052 Uiso 1 1 calc R . .
C114 C 0.05657(15) -0.1853(2) 0.21284(16) 0.0235(14) Uani 1 1 d U . .
C115 C 0.1651(2) -0.2464(3) 0.32386(19) 0.049(2) Uani 1 1 d U . .
H11I H 0.1604 -0.2116 0.3333 0.073 Uiso 1 1 calc R . .
H11J H 0.1898 -0.2529 0.3331 0.073 Uiso 1 1 calc R . .
H11K H 0.1540 -0.2779 0.3301 0.073 Uiso 1 1 calc R . .
C116 C 0.15079(18) -0.2415(3) 0.28328(19) 0.0321(16) Uani 1 1 d U . .
C117 C 0.22101(16) -0.1864(3) 0.26412(18) 0.0332(16) Uani 1 1 d U . .
H11L H 0.1989 -0.1776 0.2647 0.050 Uiso 1 1 calc R . .
H11M H 0.2295 -0.1534 0.2563 0.050 Uiso 1 1 calc R . .
H11N H 0.2373 -0.1968 0.2871 0.050 Uiso 1 1 calc R . .
C118 C 0.21689(15) -0.2351(2) 0.23968(16) 0.0235(14) Uani 1 1 d U . .
C119 C 0.23689(16) -0.4027(3) 0.27431(17) 0.0342(16) Uani 1 1 d U . .
H11O H 0.2419 -0.4249 0.2951 0.051 Uiso 1 1 calc R . .
H11P H 0.2349 -0.3630 0.2793 0.051 Uiso 1 1 calc R . .
H11Q H 0.2553 -0.4072 0.2664 0.051 Uiso 1 1 calc R . .
C120 C 0.20323(14) -0.4227(2) 0.24634(16) 0.0206(13) Uani 1 1 d U . .
C121 C 0.08923(16) -0.3560(3) 0.23247(18) 0.0295(15) Uani 1 1 d U . .
H12C H 0.0856 -0.3155 0.2327 0.044 Uiso 1 1 calc R . .
H12D H 0.1018 -0.3694 0.2559 0.044 Uiso 1 1 calc R . .
H12E H 0.0671 -0.3751 0.2225 0.044 Uiso 1 1 calc R . .
C122 C 0.10967(15) -0.3687(2) 0.21121(16) 0.0237(14) Uani 1 1 d U . .
C123 C 0.1814(2) -0.3916(3) 0.3207(2) 0.050(2) Uani 1 1 d U . .
H12F H 0.1837 -0.3809 0.2996 0.075 Uiso 1 1 calc R . .
H12G H 0.2030 -0.4069 0.3370 0.075 Uiso 1 1 calc R . .
H12H H 0.1752 -0.3586 0.3307 0.075 Uiso 1 1 calc R . .
C124 C 0.15356(17) -0.4361(3) 0.3126(2) 0.0357(16) Uani 1 1 d U . .
C125 C 0.02089(16) -0.4833(3) 0.21963(18) 0.0364(17) Uani 1 1 d U . .
H12I H 0.0188 -0.4747 0.1964 0.055 Uiso 1 1 calc R . .
H12J H 0.0160 -0.4496 0.2300 0.055 Uiso 1 1 calc R . .
H12K H 0.0046 -0.5130 0.2187 0.055 Uiso 1 1 calc R . .
C126 C 0.05738(15) -0.5034(2) 0.24133(17) 0.0249(14) Uani 1 1 d U . .
C127 C 0.17066(19) 0.0810(3) 0.37034(19) 0.0457(19) Uani 1 1 d U . .
H12L H 0.1806 0.1140 0.3641 0.069 Uiso 1 1 calc R . .
H12N H 0.1885 0.0605 0.3888 0.069 Uiso 1 1 calc R . .
H12O H 0.1530 0.0930 0.3781 0.069 Uiso 1 1 calc R . .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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'
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
O19 Yb1 O2 87.63(13) . .
O19 Yb1 O18 109.87(14) . .
O2 Yb1 O18 134.78(13) . .
O19 Yb1 O23 80.31(15) . .
O2 Yb1 O23 73.75(14) . .
O18 Yb1 O23 148.23(14) . .
O19 Yb1 O46 147.22(13) . .
O2 Yb1 O46 105.77(14) . .
O18 Yb1 O46 82.01(14) . .
O23 Yb1 O46 75.24(15) . .
O19 Yb1 O44 76.98(13) . .
O2 Yb1 O44 152.78(13) . .
O18 Yb1 O44 72.20(13) . .
O23 Yb1 O44 81.53(14) . .
O46 Yb1 O44 78.10(13) . .
O19 Yb1 N9 74.09(14) . .
O2 Yb1 N9 73.46(15) . .
O18 Yb1 N9 72.18(15) . .
O23 Yb1 N9 138.80(15) . .
O46 Yb1 N9 138.08(14) . .
O44 Yb1 N9 122.00(14) . .
O19 Yb1 O1 141.56(12) . .
O2 Yb1 O1 64.43(12) . .
O18 Yb1 O1 77.93(13) . .
O23 Yb1 O1 113.35(14) . .
O46 Yb1 O1 69.68(13) . .
O44 Yb1 O1 138.50(12) . .
N9 Yb1 O1 72.94(14) . .
O19 Yb1 C96 100.76(14) . .
O2 Yb1 C96 19.98(13) . .
O18 Yb1 C96 115.35(14) . .
O23 Yb1 C96 90.88(14) . .
O46 Yb1 C96 101.11(14) . .
O44 Yb1 C96 172.33(13) . .
N9 Yb1 C96 63.59(15) . .
O1 Yb1 C96 46.16(13) . .
O19 Yb1 Cd9 105.74(10) . .
O2 Yb1 Cd9 166.44(9) . .
O18 Yb1 Cd9 38.58(9) . .
O23 Yb1 Cd9 110.21(10) . .
O46 Yb1 Cd9 64.09(10) . .
O44 Yb1 Cd9 37.90(9) . .
N9 Yb1 Cd9 107.53(11) . .
O1 Yb1 Cd9 102.59(9) . .
C96 Yb1 Cd9 148.35(10) . .
O19 Yb1 Cd1 67.31(11) . .
O2 Yb1 Cd1 34.91(9) . .
O18 Yb1 Cd1 167.16(9) . .
O23 Yb1 Cd1 44.60(10) . .
O46 Yb1 Cd1 107.19(11) . .
O44 Yb1 Cd1 117.89(9) . .
N9 Yb1 Cd1 95.16(11) . .
O1 Yb1 Cd1 96.59(9) . .
C96 Yb1 Cd1 54.87(10) . .
Cd9 Yb1 Cd1 153.680(13) . .
O29 Yb2 O8 87.71(14) . .
O29 Yb2 O6 114.00(14) . .
O8 Yb2 O6 134.47(14) . .
O29 Yb2 O28 142.70(15) . .
O8 Yb2 O28 104.03(14) . .
O6 Yb2 O28 82.84(14) . .
O29 Yb2 O26 77.76(14) . .
O8 Yb2 O26 155.48(14) . .
O6 Yb2 O26 69.99(14) . .
O28 Yb2 O26 77.65(14) . .
O29 Yb2 N3 74.58(15) . .
O8 Yb2 N3 74.49(15) . .
O6 Yb2 N3 73.88(14) . .
O28 Yb2 N3 142.51(15) . .
O26 Yb2 N3 119.25(14) . .
O29 Yb2 O7 143.95(14) . .
O8 Yb2 O7 64.48(13) . .
O6 Yb2 O7 76.67(13) . .
O28 Yb2 O7 70.16(15) . .
O26 Yb2 O7 135.89(13) . .
N3 Yb2 O7 76.06(14) . .
O29 Yb2 Cl3 76.77(11) . .
O8 Yb2 Cl3 73.95(11) . .
O6 Yb2 Cl3 147.38(10) . .
O28 Yb2 Cl3 72.95(11) . .
O26 Yb2 Cl3 83.47(10) . .
N3 Yb2 Cl3 137.73(12) . .
O7 Yb2 Cl3 113.60(10) . .
O29 Yb2 C33 101.64(15) . .
O8 Yb2 C33 20.19(15) . .
O6 Yb2 C33 114.62(15) . .
O28 Yb2 C33 100.39(15) . .
O26 Yb2 C33 174.88(15) . .
N3 Yb2 C33 65.13(15) . .
O7 Yb2 C33 46.18(14) . .
Cl3 Yb2 C33 91.44(12) . .
O29 Yb2 Cd3 109.86(10) . .
O8 Yb2 Cd3 162.43(10) . .
O6 Yb2 Cd3 38.10(10) . .
O28 Yb2 Cd3 62.34(10) . .
O26 Yb2 Cd3 37.84(10) . .
N3 Yb2 Cd3 108.96(11) . .
O7 Yb2 Cd3 99.13(9) . .
Cl3 Yb2 Cd3 109.67(4) . .
C33 Yb2 Cd3 145.14(11) . .
O29 Yb2 Cd4 65.85(10) . .
O8 Yb2 Cd4 36.05(10) . .
O6 Yb2 Cd4 169.27(10) . .
O28 Yb2 Cd4 103.65(10) . .
O26 Yb2 Cd4 119.44(10) . .
N3 Yb2 Cd4 96.16(11) . .
O7 Yb2 Cd4 97.30(9) . .
Cl3 Yb2 Cd4 43.22(3) . .
C33 Yb2 Cd4 56.20(11) . .
Cd3 Yb2 Cd4 152.623(14) . .
O37 Yb3 O14 88.32(14) . .
O37 Yb3 O12 113.71(14) . .
O14 Yb3 O12 136.52(14) . .
O37 Yb3 O39 76.10(15) . .
O14 Yb3 O39 73.85(15) . .
O12 Yb3 O39 145.53(16) . .
O37 Yb3 O36 147.87(15) . .
O14 Yb3 O36 97.74(15) . .
O12 Yb3 O36 83.06(15) . .
O39 Yb3 O36 75.42(15) . .
O37 Yb3 O34 79.09(14) . .
O14 Yb3 O34 152.62(13) . .
O12 Yb3 O34 70.76(14) . .
O39 Yb3 O34 79.53(15) . .
O36 Yb3 O34 81.40(15) . .
O37 Yb3 N6 74.41(16) . .
O14 Yb3 N6 76.24(15) . .
O12 Yb3 N6 74.72(16) . .
O39 Yb3 N6 138.14(17) . .
O36 Yb3 N6 137.70(16) . .
O34 Yb3 N6 122.34(15) . .
O37 Yb3 O13 140.62(14) . .
O14 Yb3 O13 63.99(13) . .
O12 Yb3 O13 76.65(13) . .
O39 Yb3 O13 117.81(14) . .
O36 Yb3 O13 67.84(15) . .
O34 Yb3 O13 137.36(13) . .
N6 Yb3 O13 72.19(15) . .
O37 Yb3 C65 100.81(15) . .
O14 Yb3 C65 19.80(13) . .
O12 Yb3 C65 116.80(14) . .
O39 Yb3 C65 91.84(15) . .
O36 Yb3 C65 94.67(16) . .
O34 Yb3 C65 171.16(14) . .
N6 Yb3 C65 65.66(15) . .
O13 Yb3 C65 45.92(14) . .
O37 Yb3 Cd6 110.06(10) . .
O14 Yb3 Cd6 161.46(10) . .
O12 Yb3 Cd6 38.31(10) . .
O39 Yb3 Cd6 107.39(12) . .
O36 Yb3 Cd6 65.48(11) . .
O34 Yb3 Cd6 37.76(9) . .
N6 Yb3 Cd6 110.27(11) . .
O13 Yb3 Cd6 100.69(9) . .
C65 Yb3 Cd6 146.60(10) . .
O37 Yb3 Cd7 67.60(10) . .
O14 Yb3 Cd7 36.98(9) . .
O12 Yb3 Cd7 173.24(10) . .
O39 Yb3 Cd7 40.89(12) . .
O36 Yb3 Cd7 99.08(11) . .
O34 Yb3 Cd7 115.84(9) . .
N6 Yb3 Cd7 99.70(12) . .
O13 Yb3 Cd7 98.15(9) . .
C65 Yb3 Cd7 56.77(10) . .
Cd6 Yb3 Cd7 148.261(13) . .
O24 Cd1 N1 149.59(18) . .
O24 Cd1 O2 106.90(16) . .
N1 Cd1 O2 81.75(15) . .
O24 Cd1 O20 110.92(16) . .
N1 Cd1 O20 97.24(15) . .
O2 Cd1 O20 93.49(14) . .
O24 Cd1 O25 80.01(17) . .
N1 Cd1 O25 88.46(16) . .
O2 Cd1 O25 169.63(13) . .
O20 Cd1 O25 91.10(15) . .
O24 Cd1 O21 71.99(17) . .
N1 Cd1 O21 81.08(16) . .
O2 Cd1 O21 80.70(14) . .
O20 Cd1 O21 174.11(15) . .
O25 Cd1 O21 94.48(15) . .
O24 Cd1 O23 52.18(16) . .
N1 Cd1 O23 147.90(15) . .
O2 Cd1 O23 66.36(12) . .
O20 Cd1 O23 81.79(14) . .
O25 Cd1 O23 123.59(13) . .
O21 Cd1 O23 96.61(13) . .
O24 Cd1 Yb1 87.87(13) . .
N1 Cd1 Yb1 111.66(13) . .
O2 Cd1 Yb1 34.36(9) . .
O20 Cd1 Yb1 73.67(10) . .
O25 Cd1 Yb1 155.79(10) . .
O21 Cd1 Yb1 101.62(10) . .
O23 Cd1 Yb1 37.08(9) . .
O4 Cd2 O22 151.34(18) . .
O4 Cd2 O27 75.77(15) . .
O22 Cd2 O27 115.83(18) . .
O4 Cd2 O47 96.4(2) . .
O22 Cd2 O47 103.6(2) . .
O27 Cd2 O47 108.46(19) . .
O4 Cd2 O21 100.38(16) . .
O22 Cd2 O21 55.36(17) . .
O27 Cd2 O21 91.30(16) . .
O47 Cd2 O21 156.72(18) . .
O4 Cd2 O3 67.64(15) . .
O22 Cd2 O3 94.62(18) . .
O27 Cd2 O3 142.85(15) . .
O47 Cd2 O3 82.5(2) . .
O21 Cd2 O3 89.14(16) . .
O4 Cd2 C100 126.91(19) . .
O22 Cd2 C100 28.10(18) . .
O27 Cd2 C100 103.29(18) . .
O47 Cd2 C100 131.4(2) . .
O21 Cd2 C100 27.36(17) . .
O3 Cd2 C100 93.80(18) . .
N2 Cd3 O27 154.28(16) . .
N2 Cd3 O4 81.23(17) . .
O27 Cd3 O4 75.19(15) . .
N2 Cd3 O26 115.24(16) . .
O27 Cd3 O26 89.23(14) . .
O4 Cd3 O26 136.16(15) . .
N2 Cd3 O6 97.94(16) . .
O27 Cd3 O6 98.43(14) . .
O4 Cd3 O6 152.97(15) . .
O26 Cd3 O6 68.64(14) . .
N2 Cd3 O5 80.01(17) . .
O27 Cd3 O5 88.96(15) . .
O4 Cd3 O5 87.98(14) . .
O26 Cd3 O5 133.21(13) . .
O6 Cd3 O5 65.43(13) . .
N2 Cd3 Yb2 124.33(13) . .
O27 Cd3 Yb2 79.59(10) . .
O4 Cd3 Yb2 154.45(11) . .
O26 Cd3 Yb2 38.28(10) . .
O6 Cd3 Yb2 36.15(10) . .
O5 Cd3 Yb2 95.68(9) . .
N4 Cd4 O8 78.59(15) . .
N4 Cd4 O30 93.78(16) . .
O8 Cd4 O30 95.70(14) . .
N4 Cd4 O33 93.62(16) . .
O8 Cd4 O33 170.87(14) . .
O30 Cd4 O33 89.51(14) . .
N4 Cd4 O31 87.06(17) . .
O8 Cd4 O31 92.91(15) . .
O30 Cd4 O31 171.35(14) . .
O33 Cd4 O31 81.84(15) . .
N4 Cd4 Cl3 157.75(13) . .
O8 Cd4 Cl3 79.32(10) . .
O30 Cd4 Cl3 85.79(11) . .
O33 Cd4 Cl3 108.61(11) . .
O31 Cd4 Cl3 96.68(12) . .
N4 Cd4 Yb2 108.01(12) . .
O8 Cd4 Yb2 34.71(9) . .
O30 Cd4 Yb2 75.91(9) . .
O33 Cd4 Yb2 154.42(10) . .
O31 Cd4 Yb2 112.03(10) . .
Cl3 Cd4 Yb2 50.30(4) . .
O32 Cd5 O10 146.05(16) . .
O32 Cd5 O35 111.15(19) . .
O10 Cd5 O35 74.52(16) . .
O32 Cd5 O9 95.7(2) . .
O10 Cd5 O9 68.11(17) . .
O35 Cd5 O9 141.63(16) . .
O32 Cd5 Cl2 103.39(12) . .
O10 Cd5 Cl2 108.93(12) . .
O35 Cd5 Cl2 98.21(12) . .
O9 Cd5 Cl2 101.68(13) . .
O32 Cd5 O31 54.15(15) . .
O10 Cd5 O31 93.96(14) . .
O35 Cd5 O31 87.73(15) . .
O9 Cd5 O31 86.47(16) . .
Cl2 Cd5 O31 157.11(10) . .
O32 Cd5 C108 27.08(18) . .
O10 Cd5 C108 120.30(18) . .
O35 Cd5 C108 100.4(2) . .
O9 Cd5 C108 91.2(2) . .
Cl2 Cd5 C108 130.35(15) . .
O31 Cd5 C108 27.07(16) . .
O10 Cd6 N5 82.58(19) . .
O10 Cd6 O35 74.97(16) . .
N5 Cd6 O35 155.75(19) . .
O10 Cd6 O34 135.28(15) . .
N5 Cd6 O34 113.79(18) . .
O35 Cd6 O34 89.00(15) . .
O10 Cd6 O12 150.62(14) . .
N5 Cd6 O12 98.81(18) . .
O35 Cd6 O12 96.37(16) . .
O34 Cd6 O12 71.08(14) . .
O10 Cd6 O11 85.93(15) . .
N5 Cd6 O11 81.26(17) . .
O35 Cd6 O11 88.02(14) . .
O34 Cd6 O11 135.82(14) . .
O12 Cd6 O11 65.50(13) . .
O10 Cd6 Yb3 153.28(11) . .
N5 Cd6 Yb3 124.13(15) . .
O35 Cd6 Yb3 78.54(12) . .
O34 Cd6 Yb3 39.78(10) . .
O12 Cd6 Yb3 36.63(9) . .
O11 Cd6 Yb3 96.69(10) . .
N7 Cd7 O38 92.05(15) . .
N7 Cd7 O14 78.18(15) . .
O38 Cd7 O14 94.46(13) . .
N7 Cd7 O43 93.40(16) . .
O38 Cd7 O43 89.54(13) . .
O14 Cd7 O43 170.78(14) . .
N7 Cd7 O41 81.17(15) . .
O38 Cd7 O41 172.80(14) . .
O14 Cd7 O41 86.55(13) . .
O43 Cd7 O41 88.45(13) . .
N7 Cd7 O40 154.43(16) . .
O38 Cd7 O40 112.74(16) . .
O14 Cd7 O40 104.83(16) . .
O43 Cd7 O40 81.14(16) . .
O41 Cd7 O40 73.77(16) . .
N7 Cd7 O39 145.18(16) . .
O38 Cd7 O39 79.21(15) . .
O14 Cd7 O39 69.12(15) . .
O43 Cd7 O39 119.88(15) . .
O41 Cd7 O39 107.76(15) . .
O40 Cd7 O39 51.85(17) . .
N7 Cd7 Yb3 107.70(11) . .
O38 Cd7 Yb3 74.59(10) . .
O14 Cd7 Yb3 35.34(10) . .
O43 Cd7 Yb3 153.73(10) . .
O41 Cd7 Yb3 109.69(9) . .
O40 Cd7 Yb3 85.83(12) . .
O39 Cd7 Yb3 37.47(12) . .
O16 Cd8 O42 153.12(14) . .
O16 Cd8 O45 76.08(14) . .
O42 Cd8 O45 106.49(15) . .
O16 Cd8 O15 67.88(13) . .
O42 Cd8 O15 103.59(14) . .
O45 Cd8 O15 143.64(13) . .
O16 Cd8 O41 97.98(14) . .
O42 Cd8 O41 55.22(13) . .
O45 Cd8 O41 96.51(14) . .
O15 Cd8 O41 84.19(14) . .
O16 Cd8 Cl1 109.01(11) . .
O42 Cd8 Cl1 97.22(10) . .
O45 Cd8 Cl1 98.29(10) . .
O15 Cd8 Cl1 97.71(10) . .
O41 Cd8 Cl1 151.62(10) . .
O16 Cd8 C118 125.75(16) . .
O42 Cd8 C118 27.45(15) . .
O45 Cd8 C118 102.69(16) . .
O15 Cd8 C118 94.67(16) . .
O41 Cd8 C118 27.78(15) . .
Cl1 Cd8 C118 124.45(13) . .
O16 Cd9 N8 82.55(15) . .
O16 Cd9 O45 76.61(14) . .
N8 Cd9 O45 159.11(15) . .
O16 Cd9 O44 134.16(13) . .
N8 Cd9 O44 109.46(15) . .
O45 Cd9 O44 86.54(14) . .
O16 Cd9 O18 151.38(13) . .
N8 Cd9 O18 99.13(15) . .
O45 Cd9 O18 98.50(14) . .
O44 Cd9 O18 72.48(13) . .
O16 Cd9 O17 85.74(13) . .
N8 Cd9 O17 89.37(15) . .
O45 Cd9 O17 87.71(14) . .
O44 Cd9 O17 136.44(13) . .
O18 Cd9 O17 65.78(13) . .
O16 Cd9 Yb1 156.16(10) . .
N8 Cd9 Yb1 121.03(12) . .
O45 Cd9 Yb1 79.86(10) . .
O44 Cd9 Yb1 39.34(9) . .
O18 Cd9 Yb1 37.44(10) . .
O17 Cd9 Yb1 97.18(9) . .
Cd4 Cl3 Yb2 86.48(6) . .
C97 N1 C98 118.3(5) . .
C97 N1 Cd1 123.8(4) . .
C98 N1 Cd1 117.3(3) . .
C8 N2 C9 117.9(5) . .
C8 N2 Cd3 127.8(4) . .
C9 N2 Cd3 114.2(4) . .
C21 N3 C22 114.5(5) . .
C21 N3 Yb2 126.4(4) . .
C22 N3 Yb2 118.6(4) . .
C34 N4 C35 117.3(5) . .
C34 N4 Cd4 126.0(4) . .
C35 N4 Cd4 116.0(4) . .
C43 N5 C44 119.6(6) . .
C43 N5 Cd6 126.9(5) . .
C44 N5 Cd6 113.5(5) . .
C53 N6 C54 114.9(5) . .
C53 N6 Yb3 127.1(4) . .
C54 N6 Yb3 118.0(4) . .
C66 N7 C67 115.8(5) . .
C66 N7 Cd7 125.9(4) . .
C67 N7 Cd7 117.1(4) . .
C75 N8 C76 117.3(5) . .
C75 N8 Cd9 127.7(4) . .
C76 N8 Cd9 115.0(4) . .
C84 N9 C85 115.6(5) . .
C84 N9 Yb1 124.7(4) . .
C85 N9 Yb1 118.6(4) . .
C91 O1 C90 115.8(4) . .
C91 O1 Yb1 115.2(3) . .
C90 O1 Yb1 129.1(3) . .
C96 O2 Yb1 124.9(3) . .
C96 O2 Cd1 124.3(3) . .
Yb1 O2 Cd1 110.73(14) . .
C2 O3 C1 118.6(6) . .
C2 O3 Cd2 114.2(4) . .
C1 O3 Cd2 122.3(5) . .
C7 O4 Cd2 122.3(4) . .
C7 O4 Cd3 131.4(4) . .
Cd2 O4 Cd3 105.50(17) . .
C15 O5 C14 118.2(5) . .
C15 O5 Cd3 114.7(3) . .
C14 O5 Cd3 124.7(4) . .
C20 O6 Yb2 132.4(3) . .
C20 O6 Cd3 119.7(3) . .
Yb2 O6 Cd3 105.75(16) . .
C28 O7 C27 116.1(5) . .
C28 O7 Yb2 114.8(3) . .
C27 O7 Yb2 129.1(4) . .
C33 O8 Yb2 124.3(3) . .
C33 O8 Cd4 126.3(3) . .
Yb2 O8 Cd4 109.24(16) . .
C37 O9 C36 119.7(6) . .
C37 O9 Cd5 116.1(4) . .
C36 O9 Cd5 122.8(5) . .
C42 O10 Cd6 130.7(4) . .
C42 O10 Cd5 122.8(4) . .
Cd6 O10 Cd5 106.35(19) . .
C47 O11 C127 118.1(5) . .
C47 O11 Cd6 112.9(3) . .
C127 O11 Cd6 122.3(4) . .
C52 O12 Yb3 134.0(4) . .
C52 O12 Cd6 119.8(4) . .
Yb3 O12 Cd6 105.07(15) . .
C60 O13 C59 116.3(5) . .
C60 O13 Yb3 113.5(3) . .
C59 O13 Yb3 130.2(4) . .
C65 O14 Yb3 125.2(3) . .
C65 O14 Cd7 127.0(3) . .
Yb3 O14 Cd7 107.68(15) . .
C69 O15 C68 118.4(5) . .
C69 O15 Cd8 116.1(3) . .
C68 O15 Cd8 125.4(4) . .
C74 O16 Cd8 123.5(3) . .
C74 O16 Cd9 131.2(3) . .
Cd8 O16 Cd9 104.99(16) . .
C78 O17 C77 116.6(4) . .
C78 O17 Cd9 115.9(3) . .
C77 O17 Cd9 127.1(3) . .
C83 O18 Yb1 130.7(3) . .
C83 O18 Cd9 121.8(3) . .
Yb1 O18 Cd9 103.98(15) . .
C126 O19 Yb1 143.9(4) . .
C126 O20 Cd1 129.6(4) . .
C100 O21 Cd2 90.3(4) . .
C100 O21 Cd1 141.7(4) . .
Cd2 O21 Cd1 126.84(19) . .
C100 O22 Cd2 95.0(4) . .
C124 O23 Yb1 154.8(4) . .
C124 O23 Cd1 83.1(4) . .
Yb1 O23 Cd1 98.31(14) . .
C124 O24 Cd1 102.5(4) . .
C104 O25 Cd1 120.7(4) . .
C104 O26 Cd3 102.9(3) . .
C104 O26 Yb2 147.4(4) . .
Cd3 O26 Yb2 103.88(16) . .
C102 O27 Cd3 122.7(4) . .
C102 O27 Cd2 132.9(4) . .
Cd3 O27 Cd2 103.52(17) . .
C102 O28 Yb2 148.9(4) . .
C106 O29 Yb2 146.9(4) . .
C106 O30 Cd4 124.8(4) . .
C108 O31 Cd4 136.4(4) . .
C108 O31 Cd5 84.4(4) . .
Cd4 O31 Cd5 139.05(18) . .
C108 O32 Cd5 100.6(4) . .
C110 O33 Cd4 129.0(4) . .
C110 O34 Cd6 106.4(4) . .
C110 O34 Yb3 144.1(4) . .
Cd6 O34 Yb3 102.46(14) . .
C112 O35 Cd6 124.8(4) . .
C112 O35 Cd5 131.4(4) . .
Cd6 O35 Cd5 103.80(18) . .
C112 O36 Yb3 145.4(4) . .
C114 O37 Yb3 143.5(4) . .
C114 O38 Cd7 127.0(4) . .
C116 O39 Yb3 147.8(5) . .
C116 O39 Cd7 92.3(4) . .
Yb3 O39 Cd7 101.64(18) . .
C116 O40 Cd7 91.2(4) . .
C118 O41 Cd8 88.8(3) . .
C118 O41 Cd7 131.7(4) . .
Cd8 O41 Cd7 131.91(17) . .
C118 O42 Cd8 95.9(3) . .
C122 O43 Cd7 125.8(4) . .
C122 O44 Cd9 106.3(3) . .
C122 O44 Yb1 145.1(4) . .
Cd9 O44 Yb1 102.76(14) . .
C120 O45 Cd9 123.6(3) . .
C120 O45 Cd8 134.3(4) . .
Cd9 O45 Cd8 102.10(16) . .
C120 O46 Yb1 146.3(4) . .
Cd2 O47 H47A 109.5 . .
O3 C1 H1A 109.5 . .
O3 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O3 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O3 C2 C3 124.0(7) . .
O3 C2 C7 114.8(6) . .
C3 C2 C7 121.2(7) . .
C4 C3 C2 119.2(7) . .
C4 C3 H3A 120.4 . .
C2 C3 H3A 120.4 . .
C5 C4 C3 121.0(8) . .
C5 C4 H4A 119.5 . .
C3 C4 H4A 119.5 . .
C4 C5 C6 120.2(9) . .
C4 C5 H5A 119.9 . .
C6 C5 H5A 119.9 . .
C7 C6 C5 121.0(7) . .
C7 C6 C8 124.4(6) . .
C5 C6 C8 114.5(7) . .
O4 C7 C6 125.5(6) . .
O4 C7 C2 117.2(6) . .
C6 C7 C2 117.3(6) . .
N2 C8 C6 129.3(7) . .
N2 C8 H8A 115.3 . .
C6 C8 H8A 115.3 . .
N2 C9 C10 109.5(5) . .
N2 C9 H9A 109.8 . .
C10 C9 H9A 109.8 . .
N2 C9 H9B 109.8 . .
C10 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
C11 C10 C9 115.1(5) . .
C11 C10 H10A 108.5 . .
C9 C10 H10A 108.5 . .
C11 C10 H10B 108.5 . .
C9 C10 H10B 108.5 . .
H10A C10 H10B 107.5 . .
C12 C11 C10 112.7(5) . .
C12 C11 H11A 109.1 . .
C10 C11 H11A 109.1 . .
C12 C11 H11B 109.1 . .
C10 C11 H11B 109.1 . .
H11A C11 H11B 107.8 . .
C11 C12 C13 115.1(6) . .
C11 C12 H12A 108.5 . .
C13 C12 H12A 108.5 . .
C11 C12 H12B 108.5 . .
C13 C12 H12B 108.5 . .
H12A C12 H12B 107.5 . .
C12 C13 C76 114.2(5) . 2
C12 C13 H13A 108.7 . .
C76 C13 H13A 108.7 2 .
C12 C13 H13B 108.7 . .
C76 C13 H13B 108.7 2 .
H13A C13 H13B 107.6 . .
O5 C14 H14A 109.5 . .
O5 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
O5 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 O5 123.3(5) . .
C16 C15 C20 122.5(6) . .
O5 C15 C20 114.2(5) . .
C15 C16 C17 119.1(6) . .
C15 C16 H16A 120.5 . .
C17 C16 H16A 120.5 . .
C16 C17 C18 120.2(6) . .
C16 C17 H17A 119.9 . .
C18 C17 H17A 119.9 . .
C17 C18 C19 120.9(6) . .
C17 C18 H18A 119.5 . .
C19 C18 H18A 119.5 . .
C18 C19 C20 119.0(5) . .
C18 C19 C21 117.4(5) . .
C20 C19 C21 123.6(5) . .
O6 C20 C15 119.2(5) . .
O6 C20 C19 122.5(5) . .
C15 C20 C19 118.3(5) . .
N3 C21 C19 127.8(6) . .
N3 C21 H21A 116.1 . .
C19 C21 H21A 116.1 . .
N3 C22 C23 110.6(5) . .
N3 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
N3 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
C24 C23 C22 111.9(5) . .
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 C25 112.4(5) . .
C23 C24 H24A 109.1 . .
C25 C24 H24A 109.1 . .
C23 C24 H24B 109.1 . .
C25 C24 H24B 109.1 . .
H24A C24 H24B 107.9 . .
C26 C25 C24 113.3(5) . .
C26 C25 H25A 108.9 . .
C24 C25 H25A 108.9 . .
C26 C25 H25B 108.9 . .
C24 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C67 C26 C25 110.1(5) 2 .
C67 C26 H26B 109.6 2 .
C25 C26 H26B 109.6 . .
C67 C26 H26C 109.6 2 .
C25 C26 H26C 109.6 . .
H26B C26 H26C 108.2 . .
O7 C27 H27A 109.5 . .
O7 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O7 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C29 C28 O7 124.7(6) . .
C29 C28 C33 123.1(6) . .
O7 C28 C33 112.2(6) . .
C28 C29 C30 118.1(6) . .
C28 C29 H29A 121.0 . .
C30 C29 H29A 121.0 . .
C31 C30 C29 120.8(7) . .
C31 C30 H30A 119.6 . .
C29 C30 H30A 119.6 . .
C30 C31 C32 121.7(7) . .
C30 C31 H31A 119.2 . .
C32 C31 H31A 119.2 . .
C31 C32 C33 118.5(6) . .
C31 C32 C34 117.7(6) . .
C33 C32 C34 123.8(6) . .
O8 C33 C28 118.1(5) . .
O8 C33 C32 124.0(6) . .
C28 C33 C32 117.8(6) . .
O8 C33 Yb2 35.5(2) . .
C28 C33 Yb2 85.1(4) . .
C32 C33 Yb2 153.5(4) . .
N4 C34 C32 128.9(6) . .
N4 C34 H34A 115.5 . .
C32 C34 H34A 115.5 . .
N4 C35 C58 111.3(5) . 2
N4 C35 H35B 109.4 . .
C58 C35 H35B 109.4 2 .
N4 C35 H35C 109.4 . .
C58 C35 H35C 109.4 2 .
H35B C35 H35C 108.0 . .
O9 C36 H36A 109.5 . .
O9 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
O9 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 O9 124.1(7) . .
C38 C37 C42 121.5(8) . .
O9 C37 C42 114.3(6) . .
C37 C38 C39 119.5(8) . .
C37 C38 H38A 120.3 . .
C39 C38 H38A 120.3 . .
C40 C39 C38 121.3(8) . .
C40 C39 H39A 119.3 . .
C38 C39 H39A 119.3 . .
C39 C40 C41 119.9(8) . .
C39 C40 H40A 120.1 . .
C41 C40 H40A 120.1 . .
C40 C41 C42 120.4(7) . .
C40 C41 C43 114.8(7) . .
C42 C41 C43 124.6(6) . .
O10 C42 C41 125.2(6) . .
O10 C42 C37 117.4(6) . .
C41 C42 C37 117.4(6) . .
N5 C43 C41 128.8(6) . .
N5 C43 H43A 115.6 . .
C41 C43 H43A 115.6 . .
C45 C44 N5 111.4(7) . .
C45 C44 H44A 109.3 . .
N5 C44 H44A 109.3 . .
C45 C44 H44B 109.3 . .
N5 C44 H44B 109.3 . .
H44A C44 H44B 108.0 . .
C44 C45 C46 132.5(10) . .
C44 C45 C46' 97.8(8) . .
C46 C45 C46' 40.6(7) . .
C44 C45 H45B 104.1 . .
C46 C45 H45B 104.1 . .
C46' C45 H45B 98.6 . .
C44 C45 H45C 104.1 . .
C46 C45 H45C 104.1 . .
C46' C45 H45C 142.0 . .
H45B C45 H45C 105.5 . .
C46 C46 C45 129(2) 2 .
C46 C46 H46A 105.2 2 .
C45 C46 H46A 105.2 . .
C46 C46 H46B 105.2 2 .
C45 C46 H46B 105.2 . .
H46A C46 H46B 105.9 . .
C46' C46' C45 138.4(18) 2 .
C46' C46' H46C 102.5 2 .
C45 C46' H46C 102.5 . .
C46' C46' H46D 102.5 2 .
C45 C46' H46D 102.5 . .
H46C C46' H46D 104.9 . .
C48 C47 O11 123.9(6) . .
C48 C47 C52 121.8(6) . .
O11 C47 C52 114.3(5) . .
C47 C48 C49 119.9(6) . .
C47 C48 H48A 120.1 . .
C49 C48 H48A 120.1 . .
C50 C49 C48 120.2(6) . .
C50 C49 H49A 119.9 . .
C48 C49 H49A 119.9 . .
C49 C50 C51 120.5(7) . .
C49 C50 H50A 119.8 . .
C51 C50 H50A 119.8 . .
C50 C51 C52 119.7(6) . .
C50 C51 C53 117.1(6) . .
C52 C51 C53 123.2(6) . .
O12 C52 C47 118.9(5) . .
O12 C52 C51 123.2(5) . .
C47 C52 C51 117.9(5) . .
N6 C53 C51 128.3(6) . .
N6 C53 H53A 115.8 . .
C51 C53 H53A 115.8 . .
N6 C54 C55 111.4(5) . .
N6 C54 H54A 109.4 . .
C55 C54 H54A 109.4 . .
N6 C54 H54B 109.4 . .
C55 C54 H54B 109.4 . .
H54A C54 H54B 108.0 . .
C54 C55 C56 112.0(5) . .
C54 C55 H55A 109.2 . .
C56 C55 H55A 109.2 . .
C54 C55 H55B 109.2 . .
C56 C55 H55B 109.2 . .
H55A C55 H55B 107.9 . .
C57 C56 C55 112.6(5) . .
C57 C56 H56A 109.1 . .
C55 C56 H56A 109.1 . .
C57 C56 H56B 109.1 . .
C55 C56 H56B 109.1 . .
H56A C56 H56B 107.8 . .
C58 C57 C56 114.3(5) . .
C58 C57 H57A 108.7 . .
C56 C57 H57A 108.7 . .
C58 C57 H57B 108.7 . .
C56 C57 H57B 108.7 . .
H57A C57 H57B 107.6 . .
C57 C58 C35 110.9(5) . 2
C57 C58 H58B 109.5 . .
C35 C58 H58B 109.5 2 .
C57 C58 H58C 109.5 . .
C35 C58 H58C 109.5 2 .
H58B C58 H58C 108.0 . .
O13 C59 H59A 109.5 . .
O13 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
O13 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C61 C60 O13 124.3(6) . .
C61 C60 C65 122.8(6) . .
O13 C60 C65 112.9(5) . .
C60 C61 C62 118.5(6) . .
C60 C61 H61A 120.8 . .
C62 C61 H61A 120.8 . .
C63 C62 C61 120.7(6) . .
C63 C62 H62A 119.7 . .
C61 C62 H62A 119.7 . .
C62 C63 C64 120.8(6) . .
C62 C63 H63A 119.6 . .
C64 C63 H63A 119.6 . .
C63 C64 C65 119.3(6) . .
C63 C64 C66 116.2(6) . .
C65 C64 C66 124.5(5) . .
O14 C65 C60 118.5(5) . .
O14 C65 C64 123.5(5) . .
C60 C65 C64 117.9(5) . .
O14 C65 Yb3 35.0(2) . .
C60 C65 Yb3 85.5(4) . .
C64 C65 Yb3 152.5(4) . .
N7 C66 C64 128.0(6) . .
N7 C66 H66A 116.0 . .
C64 C66 H66A 116.0 . .
N7 C67 C26 110.2(5) . 2
N7 C67 H67B 109.6 . .
C26 C67 H67B 109.6 2 .
N7 C67 H67C 109.6 . .
C26 C67 H67C 109.6 2 .
H67B C67 H67C 108.1 . .
O15 C68 H68A 109.5 . .
O15 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
O15 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C70 C69 O15 124.5(5) . .
C70 C69 C74 121.8(6) . .
O15 C69 C74 113.7(5) . .
C69 C70 C71 121.6(6) . .
C69 C70 H70A 119.2 . .
C71 C70 H70A 119.2 . .
C72 C71 C70 118.4(6) . .
C72 C71 H71A 120.8 . .
C70 C71 H71A 120.8 . .
C71 C72 C73 121.3(6) . .
C71 C72 H72A 119.4 . .
C73 C72 H72A 119.4 . .
C72 C73 C74 120.2(5) . .
C72 C73 C75 115.0(6) . .
C74 C73 C75 124.6(5) . .
O16 C74 C73 124.7(5) . .
O16 C74 C69 118.5(5) . .
C73 C74 C69 116.7(5) . .
N8 C75 C73 128.7(6) . .
N8 C75 H75A 115.6 . .
C73 C75 H75A 115.6 . .
N8 C76 C13 109.9(5) . 2
N8 C76 H76B 109.7 . .
C13 C76 H76B 109.7 2 .
N8 C76 H76C 109.7 . .
C13 C76 H76C 109.7 2 .
H76B C76 H76C 108.2 . .
O17 C77 H77A 109.5 . .
O17 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
O17 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C79 C78 O17 124.2(6) . .
C79 C78 C83 122.3(5) . .
O17 C78 C83 113.5(5) . .
C78 C79 C80 119.3(6) . .
C78 C79 H79A 120.3 . .
C80 C79 H79A 120.3 . .
C81 C80 C79 120.0(6) . .
C81 C80 H80A 120.0 . .
C79 C80 H80A 120.0 . .
C80 C81 C82 120.8(6) . .
C80 C81 H81A 119.6 . .
C82 C81 H81A 119.6 . .
C83 C82 C81 120.2(6) . .
C83 C82 C84 123.0(5) . .
C81 C82 C84 116.8(5) . .
O18 C83 C82 123.3(5) . .
O18 C83 C78 119.4(5) . .
C82 C83 C78 117.3(5) . .
N9 C84 C82 128.0(5) . .
N9 C84 H84A 116.0 . .
C82 C84 H84A 116.0 . .
N9 C85 C86 111.6(5) . .
N9 C85 H85A 109.3 . .
C86 C85 H85A 109.3 . .
N9 C85 H85B 109.3 . .
C86 C85 H85B 109.3 . .
H85A C85 H85B 108.0 . .
C87 C86 C85 113.0(5) . .
C87 C86 H86A 109.0 . .
C85 C86 H86A 109.0 . .
C87 C86 H86B 109.0 . .
C85 C86 H86B 109.0 . .
H86A C86 H86B 107.8 . .
C86 C87 C88 112.8(5) . .
C86 C87 H87A 109.0 . .
C88 C87 H87A 109.0 . .
C86 C87 H87B 109.0 . .
C88 C87 H87B 109.0 . .
H87A C87 H87B 107.8 . .
C87 C88 C89 113.0(5) . .
C87 C88 H88A 109.0 . .
C89 C88 H88A 109.0 . .
C87 C88 H88B 109.0 . .
C89 C88 H88B 109.0 . .
H88A C88 H88B 107.8 . .
C98 C89 C88 111.6(5) 2 .
C98 C89 H89B 109.3 2 .
C88 C89 H89B 109.3 . .
C98 C89 H89C 109.3 2 .
C88 C89 H89C 109.3 . .
H89B C89 H89C 108.0 . .
O1 C90 H90A 109.5 . .
O1 C90 H90B 109.5 . .
H90A C90 H90B 109.5 . .
O1 C90 H90C 109.5 . .
H90A C90 H90C 109.5 . .
H90B C90 H90C 109.5 . .
C92 C91 O1 124.8(5) . .
C92 C91 C96 122.4(5) . .
O1 C91 C96 112.8(4) . .
C91 C92 C93 119.8(6) . .
C91 C92 H92A 120.1 . .
C93 C92 H92A 120.1 . .
C94 C93 C92 118.4(5) . .
C94 C93 H93A 120.8 . .
C92 C93 H93A 120.8 . .
C93 C94 C95 123.6(6) . .
C93 C94 H94A 118.2 . .
C95 C94 H94A 118.2 . .
C96 C95 C94 117.7(5) . .
C96 C95 C97 125.2(5) . .
C94 C95 C97 117.0(5) . .
O2 C96 C95 125.0(5) . .
O2 C96 C91 116.8(5) . .
C95 C96 C91 118.2(5) . .
O2 C96 Yb1 35.1(2) . .
C95 C96 Yb1 155.6(4) . .
C91 C96 Yb1 83.5(3) . .
N1 C97 C95 129.5(5) . .
N1 C97 H97A 115.3 . .
C95 C97 H97A 115.3 . .
N1 C98 C89 108.7(5) . 2
N1 C98 H98B 109.9 . .
C89 C98 H98B 109.9 2 .
N1 C98 H98C 109.9 . .
C89 C98 H98C 109.9 2 .
H98B C98 H98C 108.3 . .
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 . .
O21 C100 O22 118.9(7) . .
O21 C100 C99 123.4(7) . .
O22 C100 C99 117.6(6) . .
O21 C100 Cd2 62.3(4) . .
O22 C100 Cd2 56.9(4) . .
C99 C100 Cd2 171.4(5) . .
C102 C101 H10C 109.5 . .
C102 C101 H10D 109.5 . .
H10C C101 H10D 109.5 . .
C102 C101 H10E 109.5 . .
H10C C101 H10E 109.5 . .
H10D C101 H10E 109.5 . .
O28 C102 O27 122.0(6) . .
O28 C102 C101 119.0(6) . .
O27 C102 C101 119.0(6) . .
C104 C103 H10F 109.5 . .
C104 C103 H10G 109.5 . .
H10F C103 H10G 109.5 . .
C104 C103 H10H 109.5 . .
H10F C103 H10H 109.5 . .
H10G C103 H10H 109.5 . .
O25 C104 O26 119.9(5) . .
O25 C104 C103 121.9(6) . .
O26 C104 C103 118.1(5) . .
C106 C105 H10I 109.5 . .
C106 C105 H10J 109.5 . .
H10I C105 H10J 109.5 . .
C106 C105 H10K 109.5 . .
H10I C105 H10K 109.5 . .
H10J C105 H10K 109.5 . .
O29 C106 O30 125.4(5) . .
O29 C106 C105 117.2(5) . .
O30 C106 C105 117.3(5) . .
C108 C107 H10L 109.5 . .
C108 C107 H10M 109.5 . .
H10L C107 H10M 109.5 . .
C108 C107 H10N 109.5 . .
H10L C107 H10N 109.5 . .
H10M C107 H10N 109.5 . .
O31 C108 O32 120.8(6) . .
O31 C108 C107 122.2(6) . .
O32 C108 C107 117.0(6) . .
O31 C108 Cd5 68.5(3) . .
O32 C108 Cd5 52.3(3) . .
C107 C108 Cd5 169.2(5) . .
C110 C109 H10O 109.5 . .
C110 C109 H10P 109.5 . .
H10O C109 H10P 109.5 . .
C110 C109 H10Q 109.5 . .
H10O C109 H10Q 109.5 . .
H10P C109 H10Q 109.5 . .
O33 C110 O34 119.5(5) . .
O33 C110 C109 121.9(6) . .
O34 C110 C109 118.5(6) . .
C112 C111 H11C 109.5 . .
C112 C111 H11D 109.5 . .
H11C C111 H11D 109.5 . .
C112 C111 H11E 109.5 . .
H11C C111 H11E 109.5 . .
H11D C111 H11E 109.5 . .
O36 C112 O35 124.6(6) . .
O36 C112 C111 119.4(6) . .
O35 C112 C111 115.9(7) . .
C114 C113 H11F 109.5 . .
C114 C113 H11G 109.5 . .
H11F C113 H11G 109.5 . .
C114 C113 H11H 109.5 . .
H11F C113 H11H 109.5 . .
H11G C113 H11H 109.5 . .
O37 C114 O38 126.1(5) . .
O37 C114 C113 116.9(5) . .
O38 C114 C113 117.0(5) . .
C116 C115 H11I 109.5 . .
C116 C115 H11J 109.5 . .
H11I C115 H11J 109.5 . .
C116 C115 H11K 109.5 . .
H11I C115 H11K 109.5 . .
H11J C115 H11K 109.5 . .
O39 C116 O40 124.6(7) . .
O39 C116 C115 119.3(6) . .
O40 C116 C115 116.1(7) . .
C118 C117 H11L 109.5 . .
C118 C117 H11M 109.5 . .
H11L C117 H11M 109.5 . .
C118 C117 H11N 109.5 . .
H11L C117 H11N 109.5 . .
H11M C117 H11N 109.5 . .
O42 C118 O41 120.1(5) . .
O42 C118 C117 119.1(5) . .
O41 C118 C117 120.7(5) . .
O42 C118 Cd8 56.6(3) . .
O41 C118 Cd8 63.5(3) . .
C117 C118 Cd8 175.2(4) . .
C120 C119 H11O 109.5 . .
C120 C119 H11P 109.5 . .
H11O C119 H11P 109.5 . .
C120 C119 H11Q 109.5 . .
H11O C119 H11Q 109.5 . .
H11P C119 H11Q 109.5 . .
O46 C120 O45 123.9(5) . .
O46 C120 C119 119.7(5) . .
O45 C120 C119 116.3(5) . .
C122 C121 H12C 109.5 . .
C122 C121 H12D 109.5 . .
H12C C121 H12D 109.5 . .
C122 C121 H12E 109.5 . .
H12C C121 H12E 109.5 . .
H12D C121 H12E 109.5 . .
O43 C122 O44 119.0(5) . .
O43 C122 C121 121.9(5) . .
O44 C122 C121 118.9(5) . .
C124 C123 H12F 109.5 . .
C124 C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
C124 C123 H12H 109.5 . .
H12F C123 H12H 109.5 . .
H12G C123 H12H 109.5 . .
O23 C124 O24 120.7(6) . .
O23 C124 C123 122.2(7) . .
O24 C124 C123 117.0(7) . .
C126 C125 H12I 109.5 . .
C126 C125 H12J 109.5 . .
H12I C125 H12J 109.5 . .
C126 C125 H12K 109.5 . .
H12I C125 H12K 109.5 . .
H12J C125 H12K 109.5 . .
O20 C126 O19 124.7(5) . .
O20 C126 C125 118.6(5) . .
O19 C126 C125 116.6(5) . .
O11 C127 H12L 109.5 . .
O11 C127 H12N 109.5 . .
H12L C127 H12N 109.5 . .
O11 C127 H12O 109.5 . .
H12L C127 H12O 109.5 . .
H12N C127 H12O 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O19 2.205(4) .
Yb1 O2 2.252(4) .
Yb1 O18 2.264(4) .
Yb1 O23 2.274(4) .
Yb1 O46 2.318(4) .
Yb1 O44 2.348(4) .
Yb1 N9 2.521(5) .
Yb1 O1 2.526(4) .
Yb1 C96 3.210(5) .
Yb1 Cd9 3.6129(7) .
Yb1 Cd1 3.7319(9) .
Yb2 O29 2.218(4) .
Yb2 O8 2.236(4) .
Yb2 O6 2.240(4) .
Yb2 O28 2.278(4) .
Yb2 O26 2.333(4) .
Yb2 N3 2.491(5) .
Yb2 O7 2.533(4) .
Yb2 Cl3 2.8575(19) .
Yb2 C33 3.179(6) .
Yb2 Cd3 3.6556(9) .
Yb2 Cd4 3.7070(8) .
Yb3 O37 2.218(4) .
Yb3 O14 2.234(4) .
Yb3 O12 2.238(4) .
Yb3 O39 2.286(5) .
Yb3 O36 2.297(4) .
Yb3 O34 2.373(4) .
Yb3 N6 2.476(5) .
Yb3 O13 2.584(4) .
Yb3 C65 3.183(6) .
Yb3 Cd6 3.6219(8) .
Yb3 Cd7 3.6803(7) .
Cd1 O24 2.232(5) .
Cd1 N1 2.276(5) .
Cd1 O2 2.283(4) .
Cd1 O20 2.292(4) .
Cd1 O25 2.358(4) .
Cd1 O21 2.613(5) .
Cd1 O23 2.648(4) .
Cd2 O4 2.219(4) .
Cd2 O22 2.261(5) .
Cd2 O27 2.287(4) .
Cd2 O47 2.306(6) .
Cd2 O21 2.382(5) .
Cd2 O3 2.438(5) .
Cd2 C100 2.689(7) .
Cd3 N2 2.264(5) .
Cd3 O27 2.265(4) .
Cd3 O4 2.272(4) .
Cd3 O26 2.310(4) .
Cd3 O6 2.344(4) .
Cd3 O5 2.498(4) .
Cd4 N4 2.306(5) .
Cd4 O8 2.311(4) .
Cd4 O30 2.331(4) .
Cd4 O33 2.337(4) .
Cd4 O31 2.358(4) .
Cd4 Cl3 2.5434(18) .
Cd5 O32 2.211(5) .
Cd5 O10 2.243(4) .
Cd5 O35 2.270(5) .
Cd5 O9 2.397(5) .
Cd5 Cl2 2.467(2) .
Cd5 O31 2.568(4) .
Cd5 C108 2.747(7) .
Cd6 O10 2.220(4) .
Cd6 N5 2.269(5) .
Cd6 O35 2.270(4) .
Cd6 O34 2.271(4) .
Cd6 O12 2.325(4) .
Cd6 O11 2.498(4) .
Cd7 N7 2.304(5) .
Cd7 O38 2.323(4) .
Cd7 O14 2.324(4) .
Cd7 O43 2.339(4) .
Cd7 O41 2.438(4) .
Cd7 O40 2.443(5) .
Cd7 O39 2.460(5) .
Cd8 O16 2.228(4) .
Cd8 O42 2.280(4) .
Cd8 O45 2.293(4) .
Cd8 O15 2.426(4) .
Cd8 O41 2.430(4) .
Cd8 Cl1 2.4541(15) .
Cd8 C118 2.716(6) .
Cd9 O16 2.236(4) .
Cd9 N8 2.244(5) .
Cd9 O45 2.260(4) .
Cd9 O44 2.276(4) .
Cd9 O18 2.322(4) .
Cd9 O17 2.509(4) .
N1 C97 1.271(7) .
N1 C98 1.483(7) .
N2 C8 1.291(8) .
N2 C9 1.452(8) .
N3 C21 1.283(7) .
N3 C22 1.478(7) .
N4 C34 1.265(8) .
N4 C35 1.471(7) .
N5 C43 1.286(9) .
N5 C44 1.474(9) .
N6 C53 1.287(7) .
N6 C54 1.485(8) .
N7 C66 1.277(7) .
N7 C67 1.484(7) .
N8 C75 1.287(7) .
N8 C76 1.470(7) .
N9 C84 1.272(7) .
N9 C85 1.484(7) .
O1 C91 1.387(6) .
O1 C90 1.442(7) .
O2 C96 1.337(6) .
O3 C2 1.349(8) .
O3 C1 1.427(7) .
O4 C7 1.312(7) .
O5 C15 1.386(7) .
O5 C14 1.428(7) .
O6 C20 1.341(7) .
O7 C28 1.392(7) .
O7 C27 1.460(7) .
O8 C33 1.328(7) .
O9 C37 1.379(9) .
O9 C36 1.440(9) .
O10 C42 1.311(7) .
O11 C47 1.389(7) .
O11 C127 1.442(8) .
O12 C52 1.320(6) .
O13 C60 1.375(7) .
O13 C59 1.428(7) .
O14 C65 1.319(7) .
O15 C69 1.384(7) .
O15 C68 1.429(7) .
O16 C74 1.314(7) .
O17 C78 1.391(7) .
O17 C77 1.450(6) .
O18 C83 1.326(6) .
O19 C126 1.271(7) .
O20 C126 1.262(7) .
O21 C100 1.236(8) .
O22 C100 1.271(8) .
O23 C124 1.248(8) .
O24 C124 1.259(8) .
O25 C104 1.252(7) .
O26 C104 1.275(7) .
O27 C102 1.267(7) .
O28 C102 1.254(7) .
O29 C106 1.262(7) .
O30 C106 1.264(7) .
O31 C108 1.256(8) .
O32 C108 1.272(8) .
O33 C110 1.246(7) .
O34 C110 1.286(7) .
O35 C112 1.278(8) .
O36 C112 1.245(8) .
O37 C114 1.242(7) .
O38 C114 1.256(7) .
O39 C116 1.172(8) .
O40 C116 1.249(8) .
O41 C118 1.266(7) .
O42 C118 1.259(7) .
O43 C122 1.260(7) .
O44 C122 1.283(6) .
O45 C120 1.277(7) .
O46 C120 1.244(7) .
O47 H47A 0.8200 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.391(10) .
C2 C7 1.432(9) .
C3 C4 1.388(12) .
C3 H3A 0.9300 .
C4 C5 1.362(12) .
C4 H4A 0.9300 .
C5 C6 1.411(10) .
C5 H5A 0.9300 .
C6 C7 1.385(9) .
C6 C8 1.460(9) .
C8 H8A 0.9300 .
C9 C10 1.523(8) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.521(8) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.496(8) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.504(8) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C76 1.525(8) 2
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.374(9) .
C15 C20 1.395(8) .
C16 C17 1.384(9) .
C16 H16A 0.9300 .
C17 C18 1.385(8) .
C17 H17A 0.9300 .
C18 C19 1.404(8) .
C18 H18A 0.9300 .
C19 C20 1.407(8) .
C19 C21 1.450(8) .
C21 H21A 0.9300 .
C22 C23 1.536(8) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.528(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.540(8) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.525(8) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C67 1.520(8) 2
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.372(9) .
C28 C33 1.400(8) .
C29 C30 1.386(10) .
C29 H29A 0.9300 .
C30 C31 1.367(10) .
C30 H30A 0.9300 .
C31 C32 1.396(9) .
C31 H31A 0.9300 .
C32 C33 1.411(8) .
C32 C34 1.464(9) .
C34 H34A 0.9300 .
C35 C58 1.516(8) 2
C35 H35B 0.9700 .
C35 H35C 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.364(10) .
C37 C42 1.428(9) .
C38 C39 1.384(12) .
C38 H38A 0.9300 .
C39 C40 1.374(12) .
C39 H39A 0.9300 .
C40 C41 1.395(9) .
C40 H40A 0.9300 .
C41 C42 1.407(9) .
C41 C43 1.452(10) .
C43 H43A 0.9300 .
C44 C45 1.463(12) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C46 1.588(17) .
C45 C46' 1.646(16) .
C45 H45B 0.9700 .
C45 H45C 0.9700 .
C46 C46 1.08(3) 2
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C46' C46' 0.97(2) 2
C46' H46C 0.9700 .
C46' H46D 0.9700 .
C47 C48 1.378(8) .
C47 C52 1.400(8) .
C48 C49 1.398(10) .
C48 H48A 0.9300 .
C49 C50 1.375(9) .
C49 H49A 0.9300 .
C50 C51 1.408(8) .
C50 H50A 0.9300 .
C51 C52 1.422(9) .
C51 C53 1.437(9) .
C53 H53A 0.9300 .
C54 C55 1.510(8) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.531(8) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C57 1.519(8) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58 1.511(8) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C35 1.516(8) 2
C58 H58B 0.9700 .
C58 H58C 0.9700 .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 C61 1.373(8) .
C60 C65 1.404(8) .
C61 C62 1.406(10) .
C61 H61A 0.9300 .
C62 C63 1.375(9) .
C62 H62A 0.9300 .
C63 C64 1.410(8) .
C63 H63A 0.9300 .
C64 C65 1.414(8) .
C64 C66 1.470(8) .
C66 H66A 0.9300 .
C67 C26 1.521(8) 2
C67 H67B 0.9700 .
C67 H67C 0.9700 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C69 C70 1.366(8) .
C69 C74 1.416(8) .
C70 C71 1.384(9) .
C70 H70A 0.9300 .
C71 C72 1.383(8) .
C71 H71A 0.9300 .
C72 C73 1.408(8) .
C72 H72A 0.9300 .
C73 C74 1.409(8) .
C73 C75 1.463(8) .
C75 H75A 0.9300 .
C76 C13 1.525(8) 2
C76 H76B 0.9700 .
C76 H76C 0.9700 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 C79 1.370(8) .
C78 C83 1.419(8) .
C79 C80 1.391(9) .
C79 H79A 0.9300 .
C80 C81 1.375(9) .
C80 H80A 0.9300 .
C81 C82 1.404(8) .
C81 H81A 0.9300 .
C82 C83 1.393(8) .
C82 C84 1.442(8) .
C84 H84A 0.9300 .
C85 C86 1.520(8) .
C85 H85A 0.9700 .
C85 H85B 0.9700 .
C86 C87 1.519(8) .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C87 C88 1.521(8) .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C88 C89 1.527(8) .
C88 H88A 0.9700 .
C88 H88B 0.9700 .
C89 C98 1.519(8) 2
C89 H89B 0.9700 .
C89 H89C 0.9700 .
C90 H90A 0.9600 .
C90 H90B 0.9600 .
C90 H90C 0.9600 .
C91 C92 1.359(7) .
C91 C96 1.415(8) .
C92 C93 1.401(8) .
C92 H92A 0.9300 .
C93 C94 1.363(8) .
C93 H93A 0.9300 .
C94 C95 1.404(8) .
C94 H94A 0.9300 .
C95 C96 1.403(8) .
C95 C97 1.448(8) .
C97 H97A 0.9300 .
C98 C89 1.520(8) 2
C98 H98B 0.9700 .
C98 H98C 0.9700 .
C99 C100 1.483(10) .
C99 H99A 0.9600 .
C99 H99B 0.9600 .
C99 H99C 0.9600 .
C101 C102 1.484(9) .
C101 H10C 0.9600 .
C101 H10D 0.9600 .
C101 H10E 0.9600 .
C103 C104 1.512(8) .
C103 H10F 0.9600 .
C103 H10G 0.9600 .
C103 H10H 0.9600 .
C105 C106 1.510(8) .
C105 H10I 0.9600 .
C105 H10J 0.9600 .
C105 H10K 0.9600 .
C107 C108 1.509(9) .
C107 H10L 0.9600 .
C107 H10M 0.9600 .
C107 H10N 0.9600 .
C109 C110 1.486(8) .
C109 H10O 0.9600 .
C109 H10P 0.9600 .
C109 H10Q 0.9600 .
C111 C112 1.492(9) .
C111 H11C 0.9600 .
C111 H11D 0.9600 .
C111 H11E 0.9600 .
C113 C114 1.531(8) .
C113 H11F 0.9600 .
C113 H11G 0.9600 .
C113 H11H 0.9600 .
C115 C116 1.561(10) .
C115 H11I 0.9600 .
C115 H11J 0.9600 .
C115 H11K 0.9600 .
C117 C118 1.492(8) .
C117 H11L 0.9600 .
C117 H11M 0.9600 .
C117 H11N 0.9600 .
C119 C120 1.502(8) .
C119 H11O 0.9600 .
C119 H11P 0.9600 .
C119 H11Q 0.9600 .
C121 C122 1.491(8) .
C121 H12C 0.9600 .
C121 H12D 0.9600 .
C121 H12E 0.9600 .
C123 C124 1.495(9) .
C123 H12F 0.9600 .
C123 H12G 0.9600 .
C123 H12H 0.9600 .
C125 C126 1.507(8) .
C125 H12I 0.9600 .
C125 H12J 0.9600 .
C125 H12K 0.9600 .
C127 H12L 0.9600 .
C127 H12N 0.9600 .
C127 H12O 0.9600 .
