#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/99/4119914.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_4119914
loop_
_publ_author_name
'Xiaoping Yang'
'Desmond Schipper'
'Richard A. Jones'
'Lauren A. Lytwak'
'Bradley J. Holliday'
'Shaoming Huang'
_publ_section_title
;
 Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and
 32-Metal Cd-Ln Complexes with Drum-like Architectures
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8468
_journal_page_last               8471
_journal_paper_doi               10.1021/ja4031243
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C250 H312 Cd18 Cl10 N18 O88 Yb6'
_chemical_formula_weight         8393.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.95(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   41.902(8)
_cell_length_b                   22.836(5)
_cell_length_c                   47.352(10)
_cell_measurement_reflns_used    30921
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.79
_cell_measurement_theta_min      2.18
_cell_volume                     41723(18)
_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      223(1)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            99982
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    2.348
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5830
_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    1.336
_exptl_crystal_description       Block
_exptl_crystal_F_000             16384
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         4.244
_refine_diff_density_min         -1.654
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1786
_refine_ls_number_reflns         36015
_refine_ls_number_restraints     1194
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0936P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1657
_reflns_number_gt                28191
_reflns_number_total             36015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja4031243_si_009.cif
_cod_data_source_block           complex-5
_cod_original_cell_volume        41723(15)
_cod_original_sg_symbol_Hall     -C2yc
_cod_database_code               4119914
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 0.352915(7) 0.880368(13) 0.230337(7) 0.03259(8) Uani 1 1 d U . .
Yb2 Yb 0.385191(8) 0.478856(14) 0.261845(7) 0.03480(9) Uani 1 1 d U . .
Yb3 Yb 0.531750(9) 0.737441(14) 0.415175(7) 0.03858(9) Uani 1 1 d U . .
Cd1 Cd 0.239473(13) 0.69107(2) 0.197224(12) 0.03810(13) Uani 1 1 d U . .
Cd2 Cd 0.339702(13) 0.60227(2) 0.210094(12) 0.03519(12) Uani 1 1 d U . .
Cd3 Cd 0.447368(14) 0.41882(2) 0.333075(12) 0.03903(13) Uani 1 1 d U . .
Cd4 Cd 0.435916(15) 0.45271(3) 0.402048(12) 0.04525(15) Uani 1 1 d U . .
Cd5 Cd 0.504746(13) 0.58732(2) 0.384454(11) 0.03751(13) Uani 1 1 d U . .
Cd6 Cd 0.515771(14) 0.89404(2) 0.406161(12) 0.03899(13) Uani 1 1 d U . .
Cd7 Cd 0.432952(15) 0.94312(3) 0.400319(13) 0.05073(16) Uani 1 1 d U . .
Cd8 Cd 0.429261(13) 0.89835(2) 0.304177(12) 0.03652(13) Uani 1 1 d U . .
Cd9 Cd 0.289734(13) 0.78952(2) 0.172667(12) 0.03561(12) Uani 1 1 d U . .
Cl1 Cl 0.38111(9) 0.59349(19) 0.26786(7) 0.1089(12) Uani 1 1 d U . .
Cl2 Cl 0.39310(8) 0.80730(13) 0.28157(8) 0.0969(10) Uani 1 1 d U . .
Cl3 Cl 0.43080(6) 0.96211(13) 0.45092(5) 0.0738(8) Uani 1 1 d U . .
Cl4 Cl 0.38658(6) 0.39307(10) 0.40009(5) 0.0590(6) Uani 1 1 d U . .
Cl5 Cl 0.18626(5) 0.74087(8) 0.19390(5) 0.0483(5) Uani 1 1 d U . .
N1 N 0.37586(16) 0.4055(3) 0.21994(14) 0.0424(15) Uani 1 1 d U . .
N2 N 0.54534(15) 0.5220(2) 0.41398(13) 0.0348(13) Uani 1 1 d U . .
N3 N 0.28093(19) 0.7933(3) 0.12278(15) 0.0495(17) Uani 1 1 d U . .
N4 N 0.55616(17) 0.9606(3) 0.40630(17) 0.0561(18) Uani 1 1 d U . .
N5 N 0.44469(15) 0.9957(2) 0.31124(13) 0.0375(14) Uani 1 1 d U . .
N6 N 0.35682(14) 0.9764(2) 0.20728(14) 0.0345(13) Uani 1 1 d U . .
N7 N 0.30398(15) 0.5668(3) 0.16336(12) 0.0353(13) Uani 1 1 d U . .
N8 N 0.59403(15) 0.7224(3) 0.44791(12) 0.0367(14) Uani 1 1 d U . .
N9 N 0.48889(18) 0.3533(3) 0.33428(15) 0.0565(18) Uani 1 1 d U . .
O1 O 0.41483(14) 0.3259(2) 0.33195(11) 0.0461(13) Uani 1 1 d U . .
O2 O 0.40677(13) 0.3935(2) 0.28506(11) 0.0398(12) Uani 1 1 d U . .
O3 O 0.53307(12) 0.6430(2) 0.42821(10) 0.0372(11) Uani 1 1 d U . .
O4 O 0.53787(15) 0.7169(2) 0.47059(11) 0.0484(13) Uani 1 1 d U . .
O5 O 0.21430(13) 0.6240(2) 0.15484(12) 0.0433(12) Uani 1 1 d U . .
O6 O 0.24931(12) 0.7185(2) 0.15597(10) 0.0357(11) Uani 1 1 d U . .
O7 O 0.48279(13) 0.9738(2) 0.39851(11) 0.0442(13) Uani 1 1 d U . .
O8 O 0.43079(16) 1.0453(3) 0.38783(15) 0.0722(19) Uani 1 1 d U . .
O9 O 0.31311(12) 0.9505(2) 0.24321(11) 0.0379(11) Uani 1 1 d U . .
O10 O 0.37878(11) 0.9403(2) 0.27014(10) 0.0332(10) Uani 1 1 d U . .
O11 O 0.30688(12) 0.88656(19) 0.18539(11) 0.0364(11) Uani 1 1 d U . .
O12 O 0.24058(12) 0.8601(2) 0.15819(12) 0.0440(12) Uani 1 1 d U . .
O13 O 0.33186(13) 0.4203(2) 0.25713(11) 0.0440(13) Uani 1 1 d U . .
O14 O 0.33531(11) 0.5060(2) 0.22330(10) 0.0354(11) Uani 1 1 d U . .
O15 O 0.55261(13) 0.8230(2) 0.43739(11) 0.0399(12) Uani 1 1 d U . .
O16 O 0.53641(13) 0.9174(2) 0.46188(12) 0.0490(14) Uani 1 1 d U . .
O17 O 0.48786(16) 0.4124(3) 0.44283(12) 0.0589(16) Uani 1 1 d U . .
O18 O 0.46992(14) 0.4026(2) 0.38381(11) 0.0473(13) Uani 1 1 d U . .
O19 O 0.41372(12) 0.5130(2) 0.23465(11) 0.0384(11) Uani 1 1 d U . .
O20 O 0.38979(11) 0.5865(2) 0.20187(10) 0.0345(11) Uani 1 1 d U . .
O21 O 0.28431(18) 0.6154(3) 0.21631(15) 0.0691(19) Uani 1 1 d U . .
O22 O 0.24960(13) 0.6342(2) 0.23928(13) 0.0497(13) Uani 1 1 d U . .
O23 O 0.33636(12) 0.6997(2) 0.19164(12) 0.0461(13) Uani 1 1 d U . .
O24 O 0.34742(12) 0.7920(2) 0.20329(11) 0.0374(11) Uani 1 1 d U . .
O25 O 0.27895(13) 0.7657(2) 0.21433(11) 0.0382(11) Uani 1 1 d U . .
O26 O 0.31503(13) 0.8309(2) 0.24541(11) 0.0431(12) Uani 1 1 d U . .
O27 O 0.40341(11) 0.8768(2) 0.22577(11) 0.0347(11) Uani 1 1 d U . .
O28 O 0.45270(13) 0.8828(2) 0.26730(11) 0.0384(11) Uani 1 1 d U . .
O29 O 0.37680(15) 0.9223(3) 0.37297(13) 0.0681(18) Uani 1 1 d U . .
O30 O 0.40747(15) 0.9176(3) 0.34460(13) 0.0647(17) Uani 1 1 d U . .
O31 O 0.48083(13) 0.8739(2) 0.34490(11) 0.0411(12) Uani 1 1 d U . .
O32 O 0.51362(15) 0.8122(2) 0.37772(11) 0.0467(13) Uani 1 1 d U . .
O33 O 0.46638(13) 0.8610(2) 0.41085(12) 0.0467(13) Uani 1 1 d U . .
O34 O 0.48369(15) 0.7689(2) 0.42316(13) 0.0517(14) Uani 1 1 d U . .
O35 O 0.55509(14) 0.7089(2) 0.38255(11) 0.0434(12) Uani 1 1 d U . .
O36 O 0.54022(13) 0.6219(2) 0.36075(11) 0.0374(11) Uani 1 1 d U . .
O37 O 0.48477(17) 0.6929(3) 0.37693(14) 0.0630(17) Uani 1 1 d U . .
O38 O 0.44895(17) 0.6274(4) 0.36248(15) 0.085(2) Uani 1 1 d U . .
O39 O 0.47056(15) 0.5429(3) 0.41098(14) 0.0566(15) Uani 1 1 d U . .
O40 O 0.43138(16) 0.5304(3) 0.43016(13) 0.0566(15) Uani 1 1 d U . .
O41 O 0.41197(13) 0.4708(2) 0.35000(11) 0.0424(12) Uani 1 1 d U . .
O42 O 0.37230(13) 0.4929(2) 0.30440(10) 0.0427(12) Uani 1 1 d U . .
O43 O 0.48136(14) 0.5201(2) 0.34349(11) 0.0446(13) Uani 1 1 d U . .
O44 O 0.44109(13) 0.4947(2) 0.29971(11) 0.0395(12) Uani 1 1 d U . .
C1 C 0.4209(3) 0.2878(4) 0.35787(18) 0.058(2) Uani 1 1 d U . .
H1A H 0.4052 0.2551 0.3516 0.087 Uiso 1 1 calc R . .
H1B H 0.4171 0.3090 0.3738 0.087 Uiso 1 1 calc R . .
H1C H 0.4443 0.2738 0.3655 0.087 Uiso 1 1 calc R . .
C2 C 0.4045(2) 0.2977(4) 0.30365(18) 0.050(2) Uani 1 1 d U . .
C3 C 0.3992(3) 0.2396(4) 0.2984(2) 0.070(3) Uani 1 1 d U . .
H3A H 0.4036 0.2141 0.3148 0.084 Uiso 1 1 calc R . .
C4 C 0.3873(3) 0.2176(5) 0.2685(2) 0.084(3) Uani 1 1 d U . .
H4A H 0.3851 0.1773 0.2656 0.100 Uiso 1 1 calc R . .
C5 C 0.3791(3) 0.2514(4) 0.2448(2) 0.074(3) Uani 1 1 d U . .
H5A H 0.3693 0.2358 0.2251 0.088 Uiso 1 1 calc R . .
C6 C 0.3855(2) 0.3149(4) 0.24924(18) 0.050(2) Uani 1 1 d U . .
C7 C 0.3992(2) 0.3373(3) 0.27899(18) 0.0445(18) Uani 1 1 d U . .
C8 C 0.3758(2) 0.3494(4) 0.22170(18) 0.049(2) Uani 1 1 d U . .
H8A H 0.3687 0.3289 0.2033 0.058 Uiso 1 1 calc R . .
C9 C 0.36676(18) 0.4271(3) 0.18818(16) 0.0399(17) Uani 1 1 d U . .
H9A H 0.3611 0.4684 0.1874 0.060 Uiso 1 1 calc R . .
H9B H 0.3463 0.4066 0.1746 0.060 Uiso 1 1 calc R . .
C10 C 0.6048(2) 0.4189(4) 0.32315(17) 0.0456(19) Uani 1 1 d U . .
H10A H 0.5831 0.4316 0.3073 0.068 Uiso 1 1 calc R . .
H10B H 0.6027 0.3775 0.3268 0.068 Uiso 1 1 calc R . .
C11 C 0.6106(2) 0.4519(4) 0.35191(17) 0.0457(19) Uani 1 1 d U . .
H11A H 0.6118 0.4934 0.3482 0.055 Uiso 1 1 calc R . .
H11B H 0.6327 0.4402 0.3676 0.055 Uiso 1 1 calc R . .
C12 C 0.5819(2) 0.4410(4) 0.36351(18) 0.051(2) Uani 1 1 d U . .
H12A H 0.5598 0.4402 0.3461 0.061 Uiso 1 1 calc R . .
H12B H 0.5854 0.4028 0.3732 0.061 Uiso 1 1 calc R . .
C13 C 0.5802(2) 0.4868(3) 0.38624(17) 0.0422(18) Uani 1 1 d U . .
H13A H 0.6025 0.4894 0.4033 0.051 Uiso 1 1 calc R . .
H13B H 0.5749 0.5247 0.3763 0.051 Uiso 1 1 calc R . .
C14 C 0.5526(2) 0.4706(3) 0.39809(17) 0.0434(18) Uani 1 1 d U . .
H14A H 0.5316 0.4587 0.3811 0.052 Uiso 1 1 calc R . .
H14B H 0.5605 0.4379 0.4122 0.052 Uiso 1 1 calc R . .
C15 C 0.55959(19) 0.5197(4) 0.44359(18) 0.0445(18) Uani 1 1 d U . .
H15A H 0.5710 0.4851 0.4521 0.053 Uiso 1 1 calc R . .
C16 C 0.55972(18) 0.5653(3) 0.46515(16) 0.0391(17) Uani 1 1 d U . .
C17 C 0.5754(2) 0.5491(4) 0.49597(17) 0.048(2) Uani 1 1 d U . .
H17A H 0.5838 0.5112 0.5011 0.058 Uiso 1 1 calc R . .
C18 C 0.5785(2) 0.5898(4) 0.51959(18) 0.055(2) Uani 1 1 d U . .
H18A H 0.5889 0.5791 0.5401 0.066 Uiso 1 1 calc R . .
C19 C 0.5658(2) 0.6450(4) 0.51146(17) 0.052(2) Uani 1 1 d U . .
H19A H 0.5673 0.6717 0.5268 0.062 Uiso 1 1 calc R . .
C20 C 0.5509(2) 0.6624(3) 0.48120(17) 0.0418(17) Uani 1 1 d U . .
C21 C 0.54704(19) 0.6223(3) 0.45668(15) 0.0361(16) Uani 1 1 d U . .
C22 C 0.5306(2) 0.7543(4) 0.49215(18) 0.053(2) Uani 1 1 d U . .
H22A H 0.5284 0.7308 0.5081 0.080 Uiso 1 1 calc R . .
H22B H 0.5093 0.7751 0.4816 0.080 Uiso 1 1 calc R . .
H22C H 0.5491 0.7818 0.5010 0.080 Uiso 1 1 calc R . .
C23 C 0.1959(2) 0.5718(4) 0.1554(2) 0.056(2) Uani 1 1 d U . .
H23A H 0.2031 0.5409 0.1454 0.085 Uiso 1 1 calc R . .
H23B H 0.1715 0.5785 0.1448 0.085 Uiso 1 1 calc R . .
H23C H 0.2009 0.5610 0.1762 0.085 Uiso 1 1 calc R . .
C24 C 0.21626(18) 0.6392(3) 0.12715(17) 0.0410(17) Uani 1 1 d U . .
C25 C 0.2017(2) 0.6081(4) 0.1003(2) 0.055(2) Uani 1 1 d U . .
H25A H 0.1892 0.5741 0.0997 0.066 Uiso 1 1 calc R . .
C26 C 0.2056(2) 0.6276(4) 0.0743(2) 0.056(2) Uani 1 1 d U . .
H26A H 0.1962 0.6065 0.0561 0.068 Uiso 1 1 calc R . .
C27 C 0.2237(2) 0.6786(4) 0.07553(18) 0.053(2) Uani 1 1 d U . .
H27A H 0.2253 0.6918 0.0575 0.064 Uiso 1 1 calc R . .
C28 C 0.2403(2) 0.7124(4) 0.10289(17) 0.0460(19) Uani 1 1 d U . .
C29 C 0.23616(18) 0.6920(3) 0.12994(16) 0.0379(16) Uani 1 1 d U . .
C30 C 0.2599(2) 0.7600(4) 0.10043(19) 0.052(2) Uani 1 1 d U . .
H30A H 0.2579 0.7695 0.0807 0.062 Uiso 1 1 calc R . .
C31 C 0.3013(3) 0.8370(5) 0.1146(2) 0.078(3) Uani 1 1 d U . .
H31A H 0.3010 0.8739 0.1246 0.094 Uiso 1 1 calc R . .
H31B H 0.2915 0.8433 0.0926 0.094 Uiso 1 1 calc R . .
C32 C 0.3384(3) 0.8149(5) 0.1247(3) 0.088(3) Uani 1 1 d DU . .
H32A H 0.3398 0.7796 0.1138 0.106 Uiso 1 1 calc R A 1
H32B H 0.3488 0.8077 0.1466 0.106 Uiso 1 1 calc R A 1
C33 C 0.3560(6) 0.8701(8) 0.1151(5) 0.076(7) Uani 0.58(3) 1 d PDU . 1
H33A H 0.3362 0.8916 0.1011 0.114 Uiso 0.58(3) 1 calc PR . 1
H33B H 0.3647 0.8934 0.1337 0.114 Uiso 0.58(3) 1 calc PR . 1
C33' C 0.3753(4) 0.8513(8) 0.1348(4) 0.033(6) Uani 0.42(3) 1 d PDU . 2
H33D H 0.3697 0.8926 0.1345 0.049 Uiso 0.42(3) 1 calc PR . 2
H33F H 0.3890 0.8413 0.1560 0.049 Uiso 0.42(3) 1 calc PR . 2
C34 C 0.6246(4) 0.8770(7) 0.3945(4) 0.043(5) Uani 0.53(3) 1 d PDU . 1
H34A H 0.6368 0.8998 0.4128 0.065 Uiso 0.53(3) 1 calc PR . 1
H34B H 0.6218 0.8384 0.4018 0.065 Uiso 0.53(3) 1 calc PR . 1
C34' C 0.6091(6) 0.8470(9) 0.3767(6) 0.064(8) Uani 0.47(3) 1 d PDU . 2
H34D H 0.6232 0.8318 0.3969 0.096 Uiso 0.47(3) 1 calc PR . 2
H34F H 0.5923 0.8168 0.3664 0.096 Uiso 0.47(3) 1 calc PR . 2
C99 C 0.4902(5) 0.4074(9) 0.2542(4) 0.064(6) Uani 0.55(2) 1 d PDU . 1
H99A H 0.4728 0.3793 0.2422 0.095 Uiso 0.55(2) 1 calc PR . 1
H99C H 0.4793 0.4457 0.2500 0.095 Uiso 0.55(2) 1 calc PR . 1
C99' C 0.4972(6) 0.3602(11) 0.2591(4) 0.067(8) Uani 0.45(2) 1 d PDU . 2
H99D H 0.5067 0.3224 0.2676 0.100 Uiso 0.45(2) 1 calc PR . 2
H99E H 0.4724 0.3535 0.2495 0.100 Uiso 0.45(2) 1 calc PR . 2
C35 C 0.5870(3) 0.9030(6) 0.3821(3) 0.106(4) Uani 1 1 d DU . .
H35A H 0.5826 0.9292 0.3649 0.127 Uiso 1 1 calc R . 1
H35B H 0.5694 0.8728 0.3767 0.127 Uiso 1 1 calc R . 1
C36 C 0.5904(3) 0.9350(5) 0.4108(3) 0.080(3) Uani 1 1 d U . .
H36A H 0.5978 0.9082 0.4281 0.096 Uiso 1 1 calc R . .
H36B H 0.6076 0.9658 0.4151 0.096 Uiso 1 1 calc R . .
C37 C 0.5523(2) 1.0176(4) 0.4045(2) 0.063(2) Uani 1 1 d U . .
H37A H 0.5721 1.0390 0.4068 0.075 Uiso 1 1 calc R . .
C38 C 0.5216(2) 1.0517(4) 0.3994(2) 0.057(2) Uani 1 1 d U . .
C39 C 0.5262(3) 1.1126(5) 0.3966(3) 0.084(3) Uani 1 1 d U . .
H39A H 0.5473 1.1275 0.3977 0.101 Uiso 1 1 calc R . .
C40 C 0.4971(4) 1.1505(6) 0.3918(3) 0.106(4) Uani 1 1 d U . .
H40A H 0.5000 1.1907 0.3911 0.127 Uiso 1 1 calc R . .
C41 C 0.4649(3) 1.1285(4) 0.3884(2) 0.079(3) Uani 1 1 d U . .
H41A H 0.4461 1.1535 0.3846 0.094 Uiso 1 1 calc R . .
C42 C 0.4613(3) 1.0706(4) 0.3905(2) 0.063(3) Uani 1 1 d U . .
C43 C 0.4894(2) 1.0300(4) 0.39685(18) 0.052(2) Uani 1 1 d U . .
C44 C 0.4050(3) 1.0824(6) 0.3915(3) 0.109(4) Uani 1 1 d U . .
H44A H 0.4031 1.1180 0.3801 0.163 Uiso 1 1 calc R . .
H44B H 0.4116 1.0915 0.4128 0.163 Uiso 1 1 calc R . .
H44C H 0.3831 1.0626 0.3840 0.163 Uiso 1 1 calc R . .
C45 C 0.27582(18) 0.9465(4) 0.2350(2) 0.049(2) Uani 1 1 d U . .
H45A H 0.2697 0.9682 0.2495 0.074 Uiso 1 1 calc R . .
H45B H 0.2694 0.9062 0.2352 0.074 Uiso 1 1 calc R . .
H45C H 0.2638 0.9624 0.2149 0.074 Uiso 1 1 calc R . .
C46 C 0.32981(18) 0.9980(3) 0.26115(16) 0.0347(15) Uani 1 1 d U . .
C47 C 0.3131(2) 1.0472(3) 0.26445(18) 0.0450(18) Uani 1 1 d U . .
H47A H 0.2892 1.0505 0.2546 0.054 Uiso 1 1 calc R . .
C48 C 0.3331(2) 1.0933(4) 0.2832(2) 0.051(2) Uani 1 1 d U . .
H48A H 0.3225 1.1275 0.2858 0.061 Uiso 1 1 calc R . .
C49 C 0.36792(18) 1.0865(3) 0.29723(18) 0.0418(18) Uani 1 1 d U . .
H49A H 0.3807 1.1169 0.3095 0.050 Uiso 1 1 calc R . .
C50 C 0.38601(19) 1.0359(3) 0.29438(17) 0.0394(17) Uani 1 1 d U . .
C51 C 0.36570(19) 0.9905(3) 0.27507(17) 0.0383(16) Uani 1 1 d U . .
C52 C 0.42340(18) 1.0372(3) 0.30867(17) 0.0412(17) Uani 1 1 d U . .
H52A H 0.4332 1.0729 0.3171 0.049 Uiso 1 1 calc R . .
C53 C 0.48167(18) 1.0091(3) 0.32421(18) 0.0430(18) Uani 1 1 d U . .
H53A H 0.4936 0.9802 0.3398 0.052 Uiso 1 1 calc R . .
H53B H 0.4852 1.0471 0.3341 0.052 Uiso 1 1 calc R . .
C54 C 0.49738(18) 1.0094(3) 0.29998(16) 0.0366(16) Uani 1 1 d U . .
H54A H 0.4901 0.9745 0.2874 0.044 Uiso 1 1 calc R . .
H54B H 0.4888 1.0432 0.2867 0.044 Uiso 1 1 calc R . .
C55 C 0.53641(18) 1.0116(3) 0.31425(17) 0.0395(17) Uani 1 1 d U . .
H55A H 0.5448 0.9767 0.3266 0.047 Uiso 1 1 calc R . .
H55B H 0.5434 1.0451 0.3279 0.047 Uiso 1 1 calc R . .
C56 C 0.55368(18) 1.0158(3) 0.29134(17) 0.0378(16) Uani 1 1 d U . .
H56A H 0.5420 0.9893 0.2744 0.045 Uiso 1 1 calc R . .
H56B H 0.5509 1.0552 0.2832 0.045 Uiso 1 1 calc R . .
C57 C 0.59181(19) 1.0009(3) 0.30517(17) 0.0422(18) Uani 1 1 d U . .
H57B H 0.5946 0.9610 0.3128 0.063 Uiso 1 1 calc R . .
H57C H 0.6034 1.0266 0.3225 0.063 Uiso 1 1 calc R . .
C58 C 0.39087(18) 1.0072(3) 0.21816(17) 0.0378(16) Uani 1 1 d U . .
H58A H 0.4060 0.9910 0.2377 0.057 Uiso 1 1 calc R . .
H58B H 0.3875 1.0484 0.2212 0.057 Uiso 1 1 calc R . .
C59 C 0.3316(2) 1.0078(3) 0.19049(19) 0.0484(19) Uani 1 1 d U . .
H59A H 0.3365 1.0467 0.1881 0.058 Uiso 1 1 calc R . .
C60 C 0.29522(19) 0.9893(3) 0.17443(19) 0.0459(19) Uani 1 1 d U . .
C61 C 0.2711(2) 1.0335(4) 0.1616(2) 0.067(3) Uani 1 1 d U . .
H61A H 0.2785 1.0721 0.1629 0.081 Uiso 1 1 calc R . .
C62 C 0.2356(2) 1.0210(4) 0.1467(2) 0.070(3) Uani 1 1 d U . .
H62A H 0.2196 1.0507 0.1381 0.085 Uiso 1 1 calc R . .
C63 C 0.2252(2) 0.9624(4) 0.1450(2) 0.056(2) Uani 1 1 d U . .
H63A H 0.2018 0.9533 0.1352 0.067 Uiso 1 1 calc R . .
C64 C 0.24864(18) 0.9178(3) 0.15727(17) 0.0401(17) Uani 1 1 d U . .
C65 C 0.28449(19) 0.9302(3) 0.17322(17) 0.0410(17) Uani 1 1 d U . .
C66 C 0.2043(2) 0.8441(4) 0.14308(18) 0.051(2) Uani 1 1 d U . .
H66A H 0.1901 0.8760 0.1444 0.077 Uiso 1 1 calc R . .
H66B H 0.1997 0.8102 0.1529 0.077 Uiso 1 1 calc R . .
H66C H 0.1991 0.8354 0.1219 0.077 Uiso 1 1 calc R . .
C67 C 0.3262(2) 0.3824(4) 0.27900(18) 0.050(2) Uani 1 1 d U . .
H67A H 0.3018 0.3769 0.2733 0.075 Uiso 1 1 calc R . .
H67B H 0.3361 0.3997 0.2990 0.075 Uiso 1 1 calc R . .
H67C H 0.3370 0.3452 0.2792 0.075 Uiso 1 1 calc R . .
C68 C 0.30513(17) 0.4237(3) 0.22839(16) 0.0360(16) Uani 1 1 d U . .
C69 C 0.2771(2) 0.3854(4) 0.21788(19) 0.0473(19) Uani 1 1 d U . .
H69A H 0.2750 0.3555 0.2304 0.057 Uiso 1 1 calc R . .
C70 C 0.2524(2) 0.3927(3) 0.18828(19) 0.050(2) Uani 1 1 d U . .
H70A H 0.2337 0.3670 0.1806 0.060 Uiso 1 1 calc R . .
C71 C 0.25544(19) 0.4378(3) 0.17029(17) 0.0438(18) Uani 1 1 d U . .
H71A H 0.2390 0.4414 0.1503 0.053 Uiso 1 1 calc R . .
C72 C 0.28245(18) 0.4786(3) 0.18098(16) 0.0360(16) Uani 1 1 d U . .
C73 C 0.30821(16) 0.4711(3) 0.21100(16) 0.0335(15) Uani 1 1 d U . .
C74 C 0.28348(17) 0.5214(3) 0.15933(16) 0.0349(16) Uani 1 1 d U . .
H74A H 0.2672 0.5163 0.1394 0.042 Uiso 1 1 calc R . .
C75 C 0.30065(17) 0.6026(3) 0.13676(15) 0.0352(16) Uani 1 1 d U . .
H75A H 0.3005 0.6436 0.1422 0.042 Uiso 1 1 calc R . .
H75B H 0.2785 0.5942 0.1203 0.042 Uiso 1 1 calc R . .
C76 C 0.32879(18) 0.5931(3) 0.12535(16) 0.0397(17) Uani 1 1 d U . .
H76A H 0.3255 0.5554 0.1152 0.048 Uiso 1 1 calc R . .
H76B H 0.3509 0.5923 0.1427 0.048 Uiso 1 1 calc R . .
C77 C 0.32975(19) 0.6398(3) 0.10332(17) 0.0414(17) Uani 1 1 d U . .
H77A H 0.3357 0.6768 0.1142 0.050 Uiso 1 1 calc R . .
H77B H 0.3067 0.6438 0.0874 0.050 Uiso 1 1 calc R . .
C78 C 0.3553(2) 0.6282(3) 0.08834(17) 0.0423(18) Uani 1 1 d U . .
H78A H 0.3456 0.5986 0.0726 0.063 Uiso 1 1 calc R . .
H78B H 0.3764 0.6124 0.1036 0.063 Uiso 1 1 calc R . .
C79 C 0.6356(2) 0.6829(3) 0.42628(17) 0.0415(18) Uani 1 1 d U . .
H79A H 0.6567 0.6993 0.4414 0.062 Uiso 1 1 calc R . .
H79B H 0.6252 0.7123 0.4106 0.062 Uiso 1 1 calc R . .
C80 C 0.6108(2) 0.6682(4) 0.44140(18) 0.0449(18) Uani 1 1 d U . .
H80A H 0.6233 0.6477 0.4605 0.054 Uiso 1 1 calc R . .
H80B H 0.5930 0.6422 0.4281 0.054 Uiso 1 1 calc R . .
C81 C 0.61225(18) 0.7511(3) 0.47132(16) 0.0378(17) Uani 1 1 d U . .
H81A H 0.6340 0.7355 0.4828 0.045 Uiso 1 1 calc R . .
C82 C 0.60368(19) 0.8056(3) 0.48270(16) 0.0385(17) Uani 1 1 d U . .
C83 C 0.6257(2) 0.8232(4) 0.51239(19) 0.057(2) Uani 1 1 d U . .
H83A H 0.6452 0.8014 0.5237 0.068 Uiso 1 1 calc R . .
C84 C 0.6174(2) 0.8748(4) 0.52483(19) 0.055(2) Uani 1 1 d U . .
H84A H 0.6322 0.8875 0.5442 0.066 Uiso 1 1 calc R . .
C85 C 0.5880(2) 0.9062(3) 0.50877(18) 0.048(2) Uani 1 1 d U . .
H85A H 0.5826 0.9391 0.5176 0.057 Uiso 1 1 calc R . .
C86 C 0.5663(2) 0.8892(3) 0.47944(16) 0.0419(18) Uani 1 1 d U . .
C87 C 0.5734(2) 0.8379(3) 0.46556(17) 0.0399(17) Uani 1 1 d U . .
C88 C 0.5288(2) 0.9720(4) 0.47290(19) 0.059(2) Uani 1 1 d U . .
H88A H 0.5287 0.9665 0.4930 0.089 Uiso 1 1 calc R . .
H88B H 0.5065 0.9857 0.4592 0.089 Uiso 1 1 calc R . .
H88C H 0.5462 1.0003 0.4739 0.089 Uiso 1 1 calc R . .
C89 C 0.5004(2) 0.4304(5) 0.4739(2) 0.069(3) Uani 1 1 d U . .
H89A H 0.5137 0.3993 0.4868 0.104 Uiso 1 1 calc R . .
H89B H 0.4812 0.4396 0.4794 0.104 Uiso 1 1 calc R . .
H89C H 0.5148 0.4644 0.4766 0.104 Uiso 1 1 calc R . .
C90 C 0.5076(2) 0.3758(4) 0.43423(19) 0.058(2) Uani 1 1 d U . .
C91 C 0.5358(3) 0.3460(5) 0.4536(2) 0.078(3) Uani 1 1 d U . .
H91A H 0.5430 0.3502 0.4747 0.094 Uiso 1 1 calc R . .
C92 C 0.5535(3) 0.3095(6) 0.4415(3) 0.100(4) Uani 1 1 d U . .
H92A H 0.5723 0.2884 0.4549 0.120 Uiso 1 1 calc R . .
C93 C 0.5444(3) 0.3029(5) 0.4095(3) 0.084(3) Uani 1 1 d U . .
H93A H 0.5566 0.2780 0.4019 0.101 Uiso 1 1 calc R . .
C94 C 0.5157(2) 0.3361(4) 0.3896(2) 0.060(2) Uani 1 1 d U . .
C95 C 0.4969(2) 0.3706(4) 0.40069(19) 0.052(2) Uani 1 1 d U . .
C96 C 0.5098(2) 0.3273(4) 0.3580(2) 0.065(2) Uani 1 1 d U . .
H96A H 0.5233 0.2983 0.3543 0.078 Uiso 1 1 calc R . .
C97 C 0.4896(3) 0.3402(5) 0.3036(2) 0.084(3) Uani 1 1 d U . .
H97A H 0.5063 0.3092 0.3057 0.100 Uiso 1 1 calc R . .
H97B H 0.4670 0.3264 0.2899 0.100 Uiso 1 1 calc R . .
C98 C 0.4992(3) 0.3930(6) 0.2901(2) 0.085(3) Uani 1 1 d DU . .
H98A H 0.5242 0.3956 0.3001 0.102 Uiso 1 1 calc R . 1
H98B H 0.4902 0.4260 0.2976 0.102 Uiso 1 1 calc R . 1
C100 C 0.44796(18) 0.5590(3) 0.21104(17) 0.0403(17) Uani 1 1 d U . .
H10D H 0.4524 0.5997 0.2091 0.060 Uiso 1 1 calc R . .
H10E H 0.4460 0.5386 0.1927 0.060 Uiso 1 1 calc R . .
H10F H 0.4667 0.5426 0.2282 0.060 Uiso 1 1 calc R . .
C101 C 0.41386(16) 0.5526(3) 0.21603(14) 0.0295(14) Uani 1 1 d U . .
C102 C 0.2914(2) 0.5622(4) 0.2623(2) 0.058(2) Uani 1 1 d U . .
H10G H 0.3109 0.5450 0.2596 0.086 Uiso 1 1 calc R . .
H10H H 0.2748 0.5323 0.2610 0.086 Uiso 1 1 calc R . .
H10I H 0.2991 0.5807 0.2821 0.086 Uiso 1 1 calc R . .
C103 C 0.2750(2) 0.6068(4) 0.23786(18) 0.0457(19) Uani 1 1 d U . .
C104 C 0.39596(18) 0.7268(3) 0.22109(18) 0.0450(18) Uani 1 1 d U . .
H10J H 0.4080 0.7627 0.2292 0.068 Uiso 1 1 calc R . .
H10K H 0.4047 0.7100 0.2070 0.068 Uiso 1 1 calc R . .
H10L H 0.3994 0.6999 0.2376 0.068 Uiso 1 1 calc R . .
C105 C 0.35774(19) 0.7392(3) 0.20464(17) 0.0401(17) Uani 1 1 d U . .
C106 C 0.2849(3) 0.7689(5) 0.2668(2) 0.080(3) Uani 1 1 d U . .
H10M H 0.2981 0.7902 0.2851 0.120 Uiso 1 1 calc R . .
H10N H 0.2902 0.7279 0.2701 0.120 Uiso 1 1 calc R . .
H10O H 0.2606 0.7747 0.2619 0.120 Uiso 1 1 calc R . .
C107 C 0.2940(2) 0.7906(3) 0.24049(18) 0.0430(18) Uani 1 1 d U . .
C108 C 0.45532(19) 0.8528(3) 0.22110(17) 0.0430(18) Uani 1 1 d U . .
H10P H 0.4396 0.8464 0.2003 0.064 Uiso 1 1 calc R . .
H10Q H 0.4672 0.8169 0.2295 0.064 Uiso 1 1 calc R . .
H10R H 0.4719 0.8822 0.2216 0.064 Uiso 1 1 calc R . .
C109 C 0.43566(17) 0.8725(3) 0.23946(15) 0.0318(15) Uani 1 1 d U . .
C110 C 0.3462(2) 0.8932(5) 0.3221(2) 0.070(3) Uani 1 1 d U . .
H11C H 0.3462 0.9084 0.3032 0.105 Uiso 1 1 calc R . .
H11D H 0.3266 0.9084 0.3254 0.105 Uiso 1 1 calc R . .
H11E H 0.3449 0.8512 0.3210 0.105 Uiso 1 1 calc R . .
C111 C 0.3789(2) 0.9111(4) 0.34804(19) 0.057(2) Uani 1 1 d U . .
C112 C 0.4921(3) 0.7830(4) 0.32514(19) 0.058(2) Uani 1 1 d U . .
H11F H 0.5051 0.7482 0.3336 0.087 Uiso 1 1 calc R . .
H11G H 0.5009 0.8010 0.3113 0.087 Uiso 1 1 calc R . .
H11H H 0.4682 0.7731 0.3142 0.087 Uiso 1 1 calc R . .
C113 C 0.49550(18) 0.8248(3) 0.35044(16) 0.0367(16) Uani 1 1 d U . .
C114 C 0.4307(3) 0.7987(5) 0.4264(3) 0.087(3) Uani 1 1 d U . .
H11I H 0.4169 0.8336 0.4225 0.131 Uiso 1 1 calc R . .
H11J H 0.4378 0.7878 0.4475 0.131 Uiso 1 1 calc R . .
H11K H 0.4174 0.7676 0.4135 0.131 Uiso 1 1 calc R . .
C115 C 0.4625(2) 0.8099(4) 0.4193(2) 0.058(2) Uani 1 1 d U . .
C116 C 0.5720(2) 0.6837(3) 0.34217(18) 0.0483(19) Uani 1 1 d U . .
H11L H 0.5713 0.6494 0.3302 0.073 Uiso 1 1 calc R . .
H11M H 0.5957 0.6947 0.3536 0.073 Uiso 1 1 calc R . .
H11N H 0.5601 0.7151 0.3288 0.073 Uiso 1 1 calc R . .
C117 C 0.55491(18) 0.6710(3) 0.36357(16) 0.0346(15) Uani 1 1 d U . .
C118 C 0.4286(4) 0.7266(8) 0.3578(4) 0.151(6) Uani 1 1 d U . .
H11O H 0.4083 0.7084 0.3429 0.227 Uiso 1 1 calc R . .
H11P H 0.4334 0.7623 0.3495 0.227 Uiso 1 1 calc R . .
H11Q H 0.4246 0.7352 0.3760 0.227 Uiso 1 1 calc R . .
C119 C 0.4619(3) 0.6818(4) 0.36633(19) 0.070(3) Uani 1 1 d U . .
C120 C 0.4578(2) 0.6245(4) 0.4372(2) 0.060(2) Uani 1 1 d U . .
H12C H 0.4816 0.6310 0.4503 0.091 Uiso 1 1 calc R . .
H12D H 0.4435 0.6312 0.4486 0.091 Uiso 1 1 calc R . .
H12E H 0.4511 0.6509 0.4201 0.091 Uiso 1 1 calc R . .
C121 C 0.4532(2) 0.5627(4) 0.4258(2) 0.052(2) Uani 1 1 d U . .
C122 C 0.3639(3) 0.5262(5) 0.3484(2) 0.076(3) Uani 1 1 d U . .
H12F H 0.3431 0.5423 0.3332 0.114 Uiso 1 1 calc R . .
H12G H 0.3779 0.5572 0.3608 0.114 Uiso 1 1 calc R . .
H12H H 0.3579 0.4992 0.3611 0.114 Uiso 1 1 calc R . .
C123 C 0.3837(2) 0.4948(4) 0.33287(17) 0.048(2) Uani 1 1 d U . .
C124 C 0.4679(2) 0.5892(3) 0.30181(17) 0.049(2) Uani 1 1 d U . .
H12I H 0.4520 0.5907 0.2807 0.074 Uiso 1 1 calc R . .
H12J H 0.4913 0.5916 0.3029 0.074 Uiso 1 1 calc R . .
H12K H 0.4635 0.6215 0.3128 0.074 Uiso 1 1 calc R . .
C125 C 0.46311(19) 0.5322(4) 0.31598(15) 0.0407(17) Uani 1 1 d U . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O27 Yb1 O10 86.41(16) . .
O27 Yb1 O11 114.20(18) . .
O10 Yb1 O11 135.46(16) . .
O27 Yb1 O26 145.35(18) . .
O10 Yb1 O26 101.97(17) . .
O11 Yb1 O26 83.25(18) . .
O27 Yb1 O24 79.00(16) . .
O10 Yb1 O24 153.59(17) . .
O11 Yb1 O24 70.93(17) . .
O26 Yb1 O24 79.22(17) . .
O27 Yb1 N6 76.13(18) . .
O10 Yb1 N6 74.74(18) . .
O11 Yb1 N6 73.02(17) . .
O26 Yb1 N6 138.52(19) . .
O24 Yb1 N6 121.82(18) . .
O27 Yb1 O9 141.85(16) . .
O10 Yb1 O9 64.01(15) . .
O11 Yb1 O9 77.73(16) . .
O26 Yb1 O9 68.67(17) . .
O24 Yb1 O9 137.22(16) . .
N6 Yb1 O9 73.26(17) . .
O27 Yb1 Cl2 78.09(14) . .
O10 Yb1 Cl2 73.34(13) . .
O11 Yb1 Cl2 146.66(13) . .
O26 Yb1 Cl2 72.49(15) . .
O24 Yb1 Cl2 82.12(13) . .
N6 Yb1 Cl2 139.79(14) . .
O9 Yb1 Cl2 112.57(13) . .
O27 Yb1 C51 100.05(13) . .
O10 Yb1 C51 19.85(13) . .
O11 Yb1 C51 115.94(13) . .
O26 Yb1 C51 98.05(13) . .
O24 Yb1 C51 172.43(13) . .
N6 Yb1 C51 64.76(13) . .
O9 Yb1 C51 45.90(13) . .
Cl2 Yb1 C51 90.33(14) . .
O27 Yb1 Cd9 110.55(12) . .
O10 Yb1 Cd9 163.03(11) . .
O11 Yb1 Cd9 38.62(11) . .
O26 Yb1 Cd9 63.80(12) . .
O24 Yb1 Cd9 37.92(12) . .
N6 Yb1 Cd9 109.16(13) . .
O9 Yb1 Cd9 100.70(11) . .
Cl2 Yb1 Cd9 108.54(6) . .
C51 Yb1 Cd9 146.55(13) . .
O27 Yb1 Cd8 65.91(12) . .
O10 Yb1 Cd8 35.54(11) . .
O11 Yb1 Cd8 170.07(11) . .
O26 Yb1 Cd8 102.04(13) . .
O24 Yb1 Cd8 118.10(12) . .
N6 Yb1 Cd8 97.79(13) . .
O9 Yb1 Cd8 96.24(11) . .
Cl2 Yb1 Cd8 43.03(6) . .
C51 Yb1 Cd8 55.33(13) . .
Cd9 Yb1 Cd8 151.306(18) . .
O19 Yb2 O2 112.64(18) . .
O19 Yb2 O14 88.43(17) . .
O2 Yb2 O14 134.58(17) . .
O19 Yb2 O42 145.53(18) . .
O2 Yb2 O42 83.08(18) . .
O14 Yb2 O42 102.11(18) . .
O19 Yb2 O44 77.68(17) . .
O2 Yb2 O44 70.73(17) . .
O14 Yb2 O44 154.67(17) . .
O42 Yb2 O44 79.38(17) . .
O19 Yb2 N1 74.22(19) . .
O2 Yb2 N1 73.53(19) . .
O14 Yb2 N1 74.62(19) . .
O42 Yb2 N1 140.14(19) . .
O44 Yb2 N1 120.40(19) . .
O19 Yb2 O13 142.31(17) . .
O2 Yb2 O13 76.03(17) . .
O14 Yb2 O13 64.42(16) . .
O42 Yb2 O13 69.59(17) . .
O44 Yb2 O13 136.66(15) . .
N1 Yb2 O13 73.64(19) . .
O19 Yb2 Cl1 77.65(15) . .
O2 Yb2 Cl1 146.73(14) . .
O14 Yb2 Cl1 74.76(14) . .
O42 Yb2 Cl1 73.81(15) . .
O44 Yb2 Cl1 81.57(14) . .
N1 Yb2 Cl1 138.53(16) . .
O13 Yb2 Cl1 116.03(15) . .
O19 Yb2 C73 101.36(12) . .
O2 Yb2 C73 114.62(13) . .
O14 Yb2 C73 20.17(12) . .
O42 Yb2 C73 98.91(13) . .
O44 Yb2 C73 174.28(13) . .
N1 Yb2 C73 64.29(14) . .
O13 Yb2 C73 46.20(12) . .
Cl1 Yb2 C73 92.71(12) . .
O19 Yb2 Cd3 108.60(12) . .
O2 Yb2 Cd3 38.03(12) . .
O14 Yb2 Cd3 162.95(11) . .
O42 Yb2 Cd3 64.40(13) . .
O44 Yb2 Cd3 37.93(11) . .
N1 Yb2 Cd3 108.46(15) . .
O13 Yb2 Cd3 99.85(11) . .
Cl1 Yb2 Cd3 109.06(7) . .
C73 Yb2 Cd3 145.90(12) . .
O19 Yb2 Cd2 66.74(13) . .
O2 Yb2 Cd2 168.77(12) . .
O14 Yb2 Cd2 35.72(12) . .
O42 Yb2 Cd2 103.62(13) . .
O44 Yb2 Cd2 119.03(12) . .
N1 Yb2 Cd2 95.90(15) . .
O13 Yb2 Cd2 97.65(12) . .
Cl1 Yb2 Cd2 44.43(7) . .
C73 Yb2 Cd2 55.89(12) . .
Cd3 Yb2 Cd2 153.164(15) . .
O35 Yb3 O15 112.78(19) . .
O35 Yb3 O3 86.47(18) . .
O15 Yb3 O3 138.72(17) . .
O35 Yb3 O34 148.73(19) . .
O15 Yb3 O34 81.71(19) . .
O3 Yb3 O34 100.65(19) . .
O35 Yb3 O37 78.4(2) . .
O15 Yb3 O37 143.85(19) . .
O3 Yb3 O37 73.50(19) . .
O34 Yb3 O37 74.68(19) . .
O35 Yb3 O32 77.91(18) . .
O15 Yb3 O32 70.91(18) . .
O3 Yb3 O32 150.37(17) . .
O34 Yb3 O32 81.49(19) . .
O37 Yb3 O32 78.7(2) . .
O35 Yb3 N8 75.73(19) . .
O15 Yb3 N8 72.77(19) . .
O3 Yb3 N8 77.75(18) . .
O34 Yb3 N8 135.49(19) . .
O37 Yb3 N8 142.14(19) . .
O32 Yb3 N8 121.3(2) . .
O35 Yb3 O4 139.22(18) . .
O15 Yb3 O4 79.32(18) . .
O3 Yb3 O4 64.00(17) . .
O34 Yb3 O4 68.67(19) . .
O37 Yb3 O4 115.53(19) . .
O32 Yb3 O4 140.41(17) . .
N8 Yb3 O4 71.13(18) . .
O35 Yb3 C21 98.55(13) . .
O15 Yb3 C21 118.92(13) . .
O3 Yb3 C21 19.89(12) . .
O34 Yb3 C21 97.72(14) . .
O37 Yb3 C21 91.44(15) . .
O32 Yb3 C21 170.02(13) . .
N8 Yb3 C21 65.96(14) . .
O4 Yb3 C21 46.15(12) . .
O35 Yb3 C119 84.7(2) . .
O15 Yb3 C119 140.21(16) . .
O3 Yb3 C119 74.58(16) . .
O34 Yb3 C119 68.4(2) . .
O37 Yb3 C119 6.3(2) . .
O32 Yb3 C119 78.98(16) . .
N8 Yb3 C119 146.87(17) . .
O4 Yb3 C119 111.30(19) . .
C21 Yb3 C119 91.5(2) . .
O35 Yb3 Cd6 108.55(13) . .
O15 Yb3 Cd6 38.09(13) . .
O3 Yb3 Cd6 164.72(12) . .
O34 Yb3 Cd6 65.11(14) . .
O37 Yb3 Cd6 106.11(14) . .
O32 Yb3 Cd6 37.83(11) . .
N8 Yb3 Cd6 108.05(14) . .
O4 Yb3 Cd6 103.87(12) . .
C21 Yb3 Cd6 150.01(12) . .
C119 Yb3 Cd6 103.37(16) . .
O35 Yb3 Cd5 66.88(14) . .
O15 Yb3 Cd5 174.07(13) . .
O3 Yb3 Cd5 36.06(11) . .
O34 Yb3 Cd5 101.52(14) . .
O37 Yb3 Cd5 42.04(14) . .
O32 Yb3 Cd5 114.34(12) . .
N8 Yb3 Cd5 101.64(14) . .
O4 Yb3 Cd5 97.13(12) . .
C21 Yb3 Cd5 55.95(12) . .
C119 Yb3 Cd5 45.52(16) . .
Cd6 Yb3 Cd5 147.82(2) . .
O6 Cd1 O22 152.80(19) . .
O6 Cd1 O25 75.34(16) . .
O22 Cd1 O25 104.63(18) . .
O6 Cd1 O5 67.77(17) . .
O22 Cd1 O5 103.75(19) . .
O25 Cd1 O5 141.85(17) . .
O6 Cd1 O21 98.28(18) . .
O22 Cd1 O21 54.56(19) . .
O25 Cd1 O21 92.9(2) . .
O5 Cd1 O21 83.3(2) . .
O6 Cd1 Cl5 106.63(14) . .
O22 Cd1 Cl5 100.11(15) . .
O25 Cd1 Cl5 100.98(14) . .
O5 Cd1 Cl5 98.57(13) . .
O21 Cd1 Cl5 153.81(15) . .
O6 Cd1 C103 125.43(16) . .
O22 Cd1 C103 27.43(16) . .
O25 Cd1 C103 98.95(17) . .
O5 Cd1 C103 94.63(17) . .
O21 Cd1 C103 27.16(16) . .
Cl5 Cd1 C103 127.39(16) . .
N7 Cd2 O20 94.40(18) . .
N7 Cd2 O14 80.42(18) . .
O20 Cd2 O14 94.05(16) . .
N7 Cd2 O23 93.07(19) . .
O20 Cd2 O23 90.65(17) . .
O14 Cd2 O23 172.24(16) . .
N7 Cd2 O21 82.4(2) . .
O20 Cd2 O21 176.6(2) . .
O14 Cd2 O21 84.57(19) . .
O23 Cd2 O21 90.41(19) . .
N7 Cd2 Cl1 154.70(17) . .
O20 Cd2 Cl1 83.59(14) . .
O14 Cd2 Cl1 74.59(14) . .
O23 Cd2 Cl1 112.14(15) . .
O21 Cd2 Cl1 98.96(18) . .
N7 Cd2 Yb2 110.02(15) . .
O20 Cd2 Yb2 74.20(11) . .
O14 Cd2 Yb2 34.81(11) . .
O23 Cd2 Yb2 152.95(12) . .
O21 Cd2 Yb2 106.04(14) . .
Cl1 Cd2 Yb2 45.13(10) . .
O18 Cd3 O41 76.65(19) . .
O18 Cd3 N9 82.3(2) . .
O41 Cd3 N9 158.4(2) . .
O18 Cd3 O44 138.66(18) . .
O41 Cd3 O44 86.15(18) . .
N9 Cd3 O44 113.3(2) . .
O18 Cd3 O2 148.25(18) . .
O41 Cd3 O2 98.38(18) . .
N9 Cd3 O2 97.0(2) . .
O44 Cd3 O2 70.70(16) . .
O18 Cd3 O1 83.23(18) . .
O41 Cd3 O1 91.46(18) . .
N9 Cd3 O1 81.3(2) . .
O44 Cd3 O1 135.17(16) . .
O2 Cd3 O1 65.40(16) . .
O18 Cd3 Yb2 155.09(14) . .
O41 Cd3 Yb2 78.46(12) . .
N9 Cd3 Yb2 122.37(17) . .
O44 Cd3 Yb2 39.26(12) . .
O2 Cd3 Yb2 36.65(12) . .
O1 Cd3 Yb2 96.45(12) . .
O18 Cd4 O40 146.5(2) . .
O18 Cd4 O41 75.96(18) . .
O40 Cd4 O41 112.7(2) . .
O18 Cd4 Cl4 110.82(15) . .
O40 Cd4 Cl4 101.21(16) . .
O41 Cd4 Cl4 92.89(14) . .
O18 Cd4 O17 67.11(19) . .
O40 Cd4 O17 94.7(2) . .
O41 Cd4 O17 142.16(19) . .
Cl4 Cd4 O17 107.33(15) . .
O18 Cd4 O39 94.13(19) . .
O40 Cd4 O39 54.80(19) . .
O41 Cd4 O39 90.87(19) . .
Cl4 Cd4 O39 154.94(15) . .
O17 Cd4 O39 84.0(2) . .
O18 Cd4 C121 121.38(18) . .
O40 Cd4 C121 27.03(18) . .
O41 Cd4 C121 102.15(18) . .
Cl4 Cd4 C121 127.69(18) . .
O17 Cd4 C121 90.52(19) . .
O39 Cd4 C121 27.82(18) . .
N2 Cd5 O36 93.09(19) . .
N2 Cd5 O3 79.16(19) . .
O36 Cd5 O3 92.54(16) . .
N2 Cd5 O38 154.5(2) . .
O36 Cd5 O38 111.6(2) . .
O3 Cd5 O38 104.9(2) . .
N2 Cd5 O43 92.83(19) . .
O36 Cd5 O43 87.89(17) . .
O3 Cd5 O43 171.99(18) . .
O38 Cd5 O43 82.3(2) . .
N2 Cd5 O39 82.0(2) . .
O36 Cd5 O39 174.85(19) . .
O3 Cd5 O39 88.10(17) . .
O38 Cd5 O39 73.1(2) . .
O43 Cd5 O39 90.76(18) . .
N2 Cd5 O37 146.6(2) . .
O36 Cd5 O37 81.18(18) . .
O3 Cd5 O37 68.31(19) . .
O38 Cd5 O37 49.3(3) . .
O43 Cd5 O37 119.62(19) . .
O39 Cd5 O37 103.8(2) . .
N2 Cd5 C119 162.26(18) . .
O36 Cd5 C119 92.6(2) . .
O3 Cd5 C119 83.81(18) . .
O38 Cd5 C119 29.5(2) . .
O43 Cd5 C119 104.16(18) . .
O39 Cd5 C119 92.6(2) . .
O37 Cd5 C119 19.9(2) . .
N2 Cd5 Yb3 108.78(14) . .
O36 Cd5 Yb3 73.82(11) . .
O3 Cd5 Yb3 34.55(12) . .
O38 Cd5 Yb3 85.0(2) . .
O43 Cd5 Yb3 152.06(12) . .
O39 Cd5 Yb3 109.20(13) . .
O37 Cd5 Yb3 37.95(16) . .
C119 Cd5 Yb3 57.0(2) . .
O7 Cd6 N4 82.4(2) . .
O7 Cd6 O32 133.89(18) . .
N4 Cd6 O32 114.0(2) . .
O7 Cd6 O33 76.03(19) . .
N4 Cd6 O33 156.7(2) . .
O32 Cd6 O33 87.63(19) . .
O7 Cd6 O15 152.62(17) . .
N4 Cd6 O15 98.9(2) . .
O32 Cd6 O15 70.65(17) . .
O33 Cd6 O15 96.29(18) . .
O7 Cd6 O16 86.25(18) . .
N4 Cd6 O16 84.5(2) . .
O32 Cd6 O16 135.76(18) . .
O33 Cd6 O16 85.49(18) . .
O15 Cd6 O16 66.79(17) . .
O7 Cd6 Yb3 153.87(14) . .
N4 Cd6 Yb3 123.70(18) . .
O32 Cd6 Yb3 39.39(13) . .
O33 Cd6 Yb3 78.29(13) . .
O15 Cd6 Yb3 36.24(12) . .
O16 Cd6 Yb3 96.54(13) . .
O7 Cd7 O29 145.8(2) . .
O7 Cd7 O33 76.27(18) . .
O29 Cd7 O33 111.6(2) . .
O7 Cd7 O8 68.4(2) . .
O29 Cd7 O8 97.7(2) . .
O33 Cd7 O8 144.6(2) . .
O7 Cd7 Cl3 111.71(14) . .
O29 Cd7 Cl3 99.77(16) . .
O33 Cd7 Cl3 100.61(15) . .
O8 Cd7 Cl3 93.23(17) . .
O7 Cd7 O30 93.07(18) . .
O29 Cd7 O30 54.74(19) . .
O33 Cd7 O30 90.7(2) . .
O8 Cd7 O30 90.4(2) . .
Cl3 Cd7 O30 154.51(15) . .
O7 Cd7 C111 120.49(18) . .
O29 Cd7 C111 26.87(18) . .
O33 Cd7 C111 101.6(2) . .
O8 Cd7 C111 95.7(2) . .
Cl3 Cd7 C111 126.62(18) . .
O30 Cd7 C111 27.91(18) . .
N5 Cd8 O10 80.18(19) . .
N5 Cd8 O31 89.65(19) . .
O10 Cd8 O31 167.62(16) . .
N5 Cd8 O28 94.55(19) . .
O10 Cd8 O28 94.53(16) . .
O31 Cd8 O28 93.29(17) . .
N5 Cd8 O30 83.3(2) . .
O10 Cd8 O30 87.24(19) . .
O31 Cd8 O30 84.55(19) . .
O28 Cd8 O30 176.91(18) . .
N5 Cd8 Cl2 159.30(17) . .
O10 Cd8 Cl2 79.21(14) . .
O31 Cd8 Cl2 111.04(15) . .
O28 Cd8 Cl2 85.22(14) . .
O30 Cd8 Cl2 97.61(17) . .
N5 Cd8 Yb1 109.39(15) . .
O10 Cd8 Yb1 34.29(11) . .
O31 Cd8 Yb1 158.06(12) . .
O28 Cd8 Yb1 74.92(12) . .
O30 Cd8 Yb1 107.83(14) . .
Cl2 Cd8 Yb1 50.53(8) . .
N3 Cd9 O6 82.3(2) . .
N3 Cd9 O25 157.3(2) . .
O6 Cd9 O25 75.77(17) . .
N3 Cd9 O24 111.5(2) . .
O6 Cd9 O24 134.88(17) . .
O25 Cd9 O24 88.51(18) . .
N3 Cd9 O11 98.2(2) . .
O6 Cd9 O11 152.48(17) . .
O25 Cd9 O11 98.58(17) . .
O24 Cd9 O11 70.68(16) . .
N3 Cd9 O12 84.6(2) . .
O6 Cd9 O12 86.62(17) . .
O25 Cd9 O12 88.30(18) . .
O24 Cd9 O12 135.65(16) . .
O11 Cd9 O12 66.13(16) . .
N3 Cd9 Yb1 122.87(18) . .
O6 Cd9 Yb1 154.77(12) . .
O25 Cd9 Yb1 79.36(12) . .
O24 Cd9 Yb1 39.26(11) . .
O11 Cd9 Yb1 37.00(11) . .
O12 Cd9 Yb1 96.87(12) . .
Cd2 Cl1 Yb2 90.44(12) . .
Cd8 Cl2 Yb1 86.44(10) . .
C8 N1 C9 113.0(6) . .
C8 N1 Yb2 128.2(5) . .
C9 N1 Yb2 118.6(5) . .
C15 N2 C14 114.6(6) . .
C15 N2 Cd5 127.5(5) . .
C14 N2 Cd5 117.1(4) . .
C30 N3 C31 117.1(6) . .
C30 N3 Cd9 127.2(4) . .
C31 N3 Cd9 115.7(4) . .
C37 N4 C36 119.1(6) . .
C37 N4 Cd6 126.3(4) . .
C36 N4 Cd6 114.5(4) . .
C52 N5 C53 118.3(4) . .
C52 N5 Cd8 123.8(4) . .
C53 N5 Cd8 117.0(3) . .
C59 N6 C58 113.7(5) . .
C59 N6 Yb1 126.3(4) . .
C58 N6 Yb1 118.9(3) . .
C74 N7 C75 118.7(4) . .
C74 N7 Cd2 124.5(3) . .
C75 N7 Cd2 116.3(3) . .
C81 N8 C80 115.8(4) . .
C81 N8 Yb3 127.4(4) . .
C80 N8 Yb3 116.4(3) . .
C96 N9 C97 119.7(6) . .
C96 N9 Cd3 125.9(5) . .
C97 N9 Cd3 114.3(4) . .
C2 O1 C1 115.1(6) . .
C2 O1 Cd3 111.8(4) . .
C1 O1 Cd3 125.3(5) . .
C7 O2 Yb2 135.8(5) . .
C7 O2 Cd3 118.4(4) . .
Yb2 O2 Cd3 105.3(2) . .
C21 O3 Yb3 125.2(3) . .
C21 O3 Cd5 125.4(3) . .
Yb3 O3 Cd5 109.39(19) . .
C20 O4 C22 116.1(5) . .
C20 O4 Yb3 113.9(4) . .
C22 O4 Yb3 130.0(4) . .
C24 O5 C23 117.2(5) . .
C24 O5 Cd1 117.3(3) . .
C23 O5 Cd1 125.4(4) . .
C29 O6 Cd1 123.2(3) . .
C29 O6 Cd9 131.0(3) . .
Cd1 O6 Cd9 105.33(18) . .
C43 O7 Cd6 132.1(4) . .
C43 O7 Cd7 121.9(4) . .
Cd6 O7 Cd7 105.5(2) . .
C42 O8 C44 117.5(7) . .
C42 O8 Cd7 116.4(3) . .
C44 O8 Cd7 120.1(6) . .
C46 O9 C45 116.4(4) . .
C46 O9 Yb1 114.6(3) . .
C45 O9 Yb1 129.0(3) . .
C51 O10 Yb1 125.3(3) . .
C51 O10 Cd8 124.3(3) . .
Yb1 O10 Cd8 110.17(18) . .
C65 O11 Yb1 130.8(3) . .
C65 O11 Cd9 120.2(3) . .
Yb1 O11 Cd9 104.38(18) . .
C64 O12 C66 116.9(4) . .
C64 O12 Cd9 116.4(3) . .
C66 O12 Cd9 124.5(3) . .
C68 O13 C67 116.3(4) . .
C68 O13 Yb2 113.8(3) . .
C67 O13 Yb2 129.8(3) . .
C73 O14 Yb2 123.7(3) . .
C73 O14 Cd2 126.8(3) . .
Yb2 O14 Cd2 109.47(18) . .
C87 O15 Yb3 133.1(3) . .
C87 O15 Cd6 118.4(3) . .
Yb3 O15 Cd6 105.66(19) . .
C86 O16 C88 117.9(5) . .
C86 O16 Cd6 113.7(3) . .
C88 O16 Cd6 122.4(3) . .
C90 O17 C89 118.2(6) . .
C90 O17 Cd4 117.1(3) . .
C89 O17 Cd4 124.3(4) . .
C95 O18 Cd3 130.0(4) . .
C95 O18 Cd4 124.8(4) . .
Cd3 O18 Cd4 105.2(2) . .
C101 O19 Yb2 143.9(3) . .
C101 O20 Cd2 127.4(3) . .
C103 O21 Cd1 88.5(4) . .
C103 O21 Cd2 133.6(4) . .
Cd1 O21 Cd2 131.5(3) . .
C103 O22 Cd1 96.3(4) . .
C105 O23 Cd2 124.5(3) . .
C105 O24 Cd9 105.2(3) . .
C105 O24 Yb1 145.6(3) . .
Cd9 O24 Yb1 102.83(18) . .
C107 O25 Cd9 123.2(3) . .
C107 O25 Cd1 133.3(3) . .
Cd9 O25 Cd1 103.48(18) . .
C107 O26 Yb1 147.8(3) . .
C109 O27 Yb1 146.3(3) . .
C109 O28 Cd8 125.5(3) . .
C111 O29 Cd7 98.3(4) . .
C111 O30 Cd8 136.7(4) . .
C111 O30 Cd7 85.9(4) . .
Cd8 O30 Cd7 136.7(2) . .
C113 O31 Cd8 127.3(3) . .
C113 O32 Cd6 106.9(3) . .
C113 O32 Yb3 146.0(4) . .
Cd6 O32 Yb3 102.78(18) . .
C115 O33 Cd7 133.2(4) . .
C115 O33 Cd6 124.5(4) . .
Cd7 O33 Cd6 102.1(2) . .
C115 O34 Yb3 145.5(4) . .
C117 O35 Yb3 145.6(4) . .
C117 O36 Cd5 129.0(3) . .
C119 O37 Yb3 157.5(6) . .
C119 O37 Cd5 91.7(5) . .
Yb3 O37 Cd5 100.0(2) . .
C119 O38 Cd5 91.1(4) . .
C121 O39 Cd4 88.1(4) . .
C121 O39 Cd5 134.8(4) . .
Cd4 O39 Cd5 132.8(2) . .
C121 O40 Cd4 97.6(4) . .
C123 O41 Cd3 125.0(4) . .
C123 O41 Cd4 132.0(4) . .
Cd3 O41 Cd4 102.2(2) . .
C123 O42 Yb2 146.3(4) . .
C125 O43 Cd5 126.6(4) . .
C125 O44 Cd3 103.3(3) . .
C125 O44 Yb2 146.4(4) . .
Cd3 O44 Yb2 102.81(17) . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 O1 126.7(7) . .
C3 C2 C7 120.6(8) . .
O1 C2 C7 112.7(7) . .
C2 C3 C4 120.6(9) . .
C2 C3 H3A 119.7 . .
C4 C3 H3A 119.7 . .
C5 C4 C3 122.2(10) . .
C5 C4 H4A 118.9 . .
C3 C4 H4A 118.9 . .
C4 C5 C6 119.4(9) . .
C4 C5 H5A 120.3 . .
C6 C5 H5A 120.3 . .
C7 C6 C8 125.0(7) . .
C7 C6 C5 119.0(7) . .
C8 C6 C5 115.9(7) . .
O2 C7 C6 122.9(7) . .
O2 C7 C2 119.3(7) . .
C6 C7 C2 117.8(7) . .
N1 C8 C6 126.7(7) . .
N1 C8 H8A 116.6 . .
C6 C8 H8A 116.6 . .
N1 C9 C10 113.3(6) . 2_655
N1 C9 H9A 108.9 . .
C10 C9 H9A 108.9 2_655 .
N1 C9 H9B 108.9 . .
C10 C9 H9B 108.9 2_655 .
H9A C9 H9B 107.7 . .
C11 C10 C9 113.2(7) . 2_655
C11 C10 H10A 108.9 . .
C9 C10 H10A 108.9 2_655 .
C11 C10 H10B 108.9 . .
C9 C10 H10B 108.9 2_655 .
H10A C10 H10B 107.8 . .
C10 C11 C12 112.0(7) . .
C10 C11 H11A 109.2 . .
C12 C11 H11A 109.2 . .
C10 C11 H11B 109.2 . .
C12 C11 H11B 109.2 . .
H11A C11 H11B 107.9 . .
C13 C12 C11 113.8(7) . .
C13 C12 H12A 108.8 . .
C11 C12 H12A 108.8 . .
C13 C12 H12B 108.8 . .
C11 C12 H12B 108.8 . .
H12A C12 H12B 107.7 . .
C14 C13 C12 110.3(6) . .
C14 C13 H13A 109.6 . .
C12 C13 H13A 109.6 . .
C14 C13 H13B 109.6 . .
C12 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
N2 C14 C13 109.3(6) . .
N2 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
N2 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.3 . .
N2 C15 C16 127.2(7) . .
N2 C15 H15A 116.4 . .
C16 C15 H15A 116.4 . .
C17 C16 C21 121.0(6) . .
C17 C16 C15 114.5(7) . .
C21 C16 C15 124.4(6) . .
C16 C17 C18 120.7(8) . .
C16 C17 H17A 119.6 . .
C18 C17 H17A 119.6 . .
C19 C18 C17 118.5(8) . .
C19 C18 H18A 120.8 . .
C17 C18 H18A 120.8 . .
C18 C19 C20 121.9(8) . .
C18 C19 H19A 119.1 . .
C20 C19 H19A 119.1 . .
O4 C20 C19 126.5(7) . .
O4 C20 C21 112.2(6) . .
C19 C20 C21 121.3(7) . .
O3 C21 C16 125.9(5) . .
O3 C21 C20 117.3(5) . .
C16 C21 C20 116.7(5) . .
O3 C21 Yb3 35.0(2) . .
C16 C21 Yb3 154.4(4) . .
C20 C21 Yb3 84.5(3) . .
O4 C22 H22A 109.5 . .
O4 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
O4 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O5 C23 H23A 109.5 . .
O5 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O5 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 O5 125.1(7) . .
C25 C24 C29 123.4(8) . .
O5 C24 C29 111.5(6) . .
C24 C25 C26 119.7(8) . .
C24 C25 H25A 120.1 . .
C26 C25 H25A 120.1 . .
C27 C26 C25 119.2(8) . .
C27 C26 H26A 120.4 . .
C25 C26 H26A 120.4 . .
C26 C27 C28 124.1(8) . .
C26 C27 H27A 118.0 . .
C28 C27 H27A 118.0 . .
C30 C28 C27 116.1(7) . .
C30 C28 C29 127.5(7) . .
C27 C28 C29 116.4(7) . .
O6 C29 C28 123.0(6) . .
O6 C29 C24 119.8(6) . .
C28 C29 C24 117.2(7) . .
N3 C30 C28 127.7(7) . .
N3 C30 H30A 116.1 . .
C28 C30 H30A 116.1 . .
N3 C31 C32 108.8(9) . .
N3 C31 H31A 109.9 . .
C32 C31 H31A 109.9 . .
N3 C31 H31B 109.9 . .
C32 C31 H31B 109.9 . .
H31A C31 H31B 108.3 . .
C31 C32 C33 100.1(12) . .
C31 C32 C33' 130.5(11) . .
C33 C32 C33' 37.8(9) . .
C31 C32 H32A 111.8 . .
C33 C32 H32A 111.8 . .
C33' C32 H32A 109.3 . .
C31 C32 H32B 111.8 . .
C33 C32 H32B 111.8 . .
C33' C32 H32B 78.3 . .
H32A C32 H32B 109.5 . .
C34 C33 C32 136.9(19) 2_655 .
C34 C33 H33A 102.9 2_655 .
C32 C33 H33A 102.9 . .
C34 C33 H33B 102.9 2_655 .
C32 C33 H33B 102.9 . .
H33A C33 H33B 105.1 . .
C34' C33' C32 121.7(18) 2_655 .
C34' C33' H33D 106.9 2_655 .
C32 C33' H33D 106.9 . .
C34' C33' H33F 106.9 2_655 .
C32 C33' H33F 106.9 . .
H33D C33' H33F 106.7 . .
C33 C34 C35 134.8(19) 2_655 .
C33 C34 H34A 103.5 2_655 .
C35 C34 H34A 103.5 . .
C33 C34 H34B 103.5 2_655 .
C35 C34 H34B 103.5 . .
H34A C34 H34B 105.3 . .
C33' C34' C35 122(2) 2_655 .
C33' C34' H34D 106.9 2_655 .
C35 C34' H34D 106.9 . .
C33' C34' H34F 106.9 2_655 .
C35 C34' H34F 106.9 . .
H34D C34' H34F 106.7 . .
C99 C99 C98 120(2) 2_655 .
C99 C99 H99A 107.3 2_655 .
C98 C99 H99A 107.3 . .
C99 C99 H99C 107.3 2_655 .
C98 C99 H99C 107.3 . .
H99A C99 H99C 106.9 . .
C99' C99' C98 148.6(19) 2_655 .
C99' C99' H99D 99.6 2_655 .
C98 C99' H99D 99.6 . .
C99' C99' H99E 99.6 2_655 .
C98 C99' H99E 99.6 . .
H99D C99' H99E 104.1 . .
C36 C35 C34 96.9(11) . .
C36 C35 C34' 130.9(13) . .
C34 C35 C34' 39.2(9) . .
C36 C35 H35A 112.4 . .
C34 C35 H35A 112.4 . .
C34' C35 H35A 106.3 . .
C36 C35 H35B 112.4 . .
C34 C35 H35B 112.4 . .
C34' C35 H35B 79.8 . .
H35A C35 H35B 109.9 . .
N4 C36 C35 108.5(8) . .
N4 C36 H36A 110.0 . .
C35 C36 H36A 110.0 . .
N4 C36 H36B 110.0 . .
C35 C36 H36B 110.0 . .
H36A C36 H36B 108.4 . .
N4 C37 C38 128.7(8) . .
N4 C37 H37A 115.7 . .
C38 C37 H37A 115.7 . .
C43 C38 C39 120.2(9) . .
C43 C38 C37 126.2(8) . .
C39 C38 C37 113.6(9) . .
C38 C39 C40 117.9(11) . .
C38 C39 H39A 121.1 . .
C40 C39 H39A 121.1 . .
C41 C40 C39 121.7(11) . .
C41 C40 H40A 119.1 . .
C39 C40 H40A 119.1 . .
C42 C41 C40 118.7(11) . .
C42 C41 H41A 120.7 . .
C40 C41 H41A 120.7 . .
C41 C42 O8 122.7(9) . .
C41 C42 C43 123.1(10) . .
O8 C42 C43 114.2(7) . .
O7 C43 C38 124.0(7) . .
O7 C43 C42 117.6(8) . .
C38 C43 C42 118.3(8) . .
O8 C44 H44A 109.5 . .
O8 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
O8 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
O9 C45 H45A 109.5 . .
O9 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
O9 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C47 C46 O9 123.8(6) . .
C47 C46 C51 123.5(7) . .
O9 C46 C51 112.7(5) . .
C46 C47 C48 118.6(7) . .
C46 C47 H47A 120.7 . .
C48 C47 H47A 120.7 . .
C49 C48 C47 118.7(7) . .
C49 C48 H48A 120.7 . .
C47 C48 H48A 120.7 . .
C48 C49 C50 124.1(7) . .
C48 C49 H49A 117.9 . .
C50 C49 H49A 117.9 . .
C49 C50 C51 116.5(7) . .
C49 C50 C52 117.5(7) . .
C51 C50 C52 125.7(7) . .
O10 C51 C46 117.7(6) . .
O10 C51 C50 123.8(6) . .
C46 C51 C50 118.5(6) . .
O10 C51 Yb1 34.9(2) . .
C46 C51 Yb1 85.0(4) . .
C50 C51 Yb1 154.4(5) . .
N5 C52 C50 128.4(6) . .
N5 C52 H52A 115.8 . .
C50 C52 H52A 115.8 . .
N5 C53 C54 112.5(5) . .
N5 C53 H53A 109.1 . .
C54 C53 H53A 109.1 . .
N5 C53 H53B 109.1 . .
C54 C53 H53B 109.1 . .
H53A C53 H53B 107.8 . .
C55 C54 C53 111.9(6) . .
C55 C54 H54A 109.2 . .
C53 C54 H54A 109.2 . .
C55 C54 H54B 109.2 . .
C53 C54 H54B 109.2 . .
H54A C54 H54B 107.9 . .
C54 C55 C56 114.6(6) . .
C54 C55 H55A 108.6 . .
C56 C55 H55A 108.6 . .
C54 C55 H55B 108.6 . .
C56 C55 H55B 108.6 . .
H55A C55 H55B 107.6 . .
C57 C56 C55 113.1(6) . .
C57 C56 H56A 108.9 . .
C55 C56 H56A 108.9 . .
C57 C56 H56B 108.9 . .
C55 C56 H56B 108.9 . .
H56A C56 H56B 107.8 . .
C56 C57 C58 112.4(6) . 2_655
C56 C57 H57B 109.1 . .
C58 C57 H57B 109.1 2_655 .
C56 C57 H57C 109.1 . .
C58 C57 H57C 109.1 2_655 .
H57B C57 H57C 107.9 . .
N6 C58 C57 111.2(5) . 2_655
N6 C58 H58A 109.4 . .
C57 C58 H58A 109.4 2_655 .
N6 C58 H58B 109.4 . .
C57 C58 H58B 109.4 2_655 .
H58A C58 H58B 108.0 . .
N6 C59 C60 127.1(7) . .
N6 C59 H59A 116.5 . .
C60 C59 H59A 116.5 . .
C61 C60 C65 120.5(7) . .
C61 C60 C59 116.6(7) . .
C65 C60 C59 122.8(7) . .
C60 C61 C62 121.3(9) . .
C60 C61 H61A 119.3 . .
C62 C61 H61A 119.3 . .
C63 C62 C61 117.9(8) . .
C63 C62 H62A 121.0 . .
C61 C62 H62A 121.0 . .
C64 C63 C62 121.9(8) . .
C64 C63 H63A 119.0 . .
C62 C63 H63A 119.0 . .
O12 C64 C63 125.7(6) . .
O12 C64 C65 113.5(6) . .
C63 C64 C65 120.5(7) . .
O11 C65 C60 122.4(6) . .
O11 C65 C64 119.9(6) . .
C60 C65 C64 117.7(7) . .
O12 C66 H66A 109.5 . .
O12 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
O12 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
O13 C67 H67A 109.5 . .
O13 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
O13 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
O13 C68 C69 124.1(6) . .
O13 C68 C73 113.4(5) . .
C69 C68 C73 122.4(7) . .
C70 C69 C68 118.5(7) . .
C70 C69 H69A 120.7 . .
C68 C69 H69A 120.7 . .
C71 C70 C69 120.1(7) . .
C71 C70 H70A 119.9 . .
C69 C70 H70A 119.9 . .
C70 C71 C72 122.2(7) . .
C70 C71 H71A 118.9 . .
C72 C71 H71A 118.9 . .
C71 C72 C73 118.2(7) . .
C71 C72 C74 116.2(7) . .
C73 C72 C74 125.2(6) . .
O14 C73 C68 117.9(6) . .
O14 C73 C72 123.7(6) . .
C68 C73 C72 118.4(6) . .
O14 C73 Yb2 36.1(2) . .
C68 C73 Yb2 84.1(4) . .
C72 C73 Yb2 154.0(5) . .
N7 C74 C72 129.5(6) . .
N7 C74 H74A 115.2 . .
C72 C74 H74A 115.2 . .
N7 C75 C76 114.0(5) . .
N7 C75 H75A 108.7 . .
C76 C75 H75A 108.7 . .
N7 C75 H75B 108.7 . .
C76 C75 H75B 108.7 . .
H75A C75 H75B 107.6 . .
C75 C76 C77 112.8(6) . .
C75 C76 H76A 109.0 . .
C77 C76 H76A 109.0 . .
C75 C76 H76B 109.0 . .
C77 C76 H76B 109.0 . .
H76A C76 H76B 107.8 . .
C76 C77 C78 114.4(6) . .
C76 C77 H77A 108.6 . .
C78 C77 H77A 108.7 . .
C76 C77 H77B 108.6 . .
C78 C77 H77B 108.7 . .
H77A C77 H77B 107.6 . .
C77 C78 C79 114.1(6) . 2_655
C77 C78 H78A 108.7 . .
C79 C78 H78A 108.7 2_655 .
C77 C78 H78B 108.7 . .
C79 C78 H78B 108.7 2_655 .
H78A C78 H78B 107.6 . .
C80 C79 C78 111.5(6) . 2_655
C80 C79 H79A 109.3 . .
C78 C79 H79A 109.3 2_655 .
C80 C79 H79B 109.3 . .
C78 C79 H79B 109.3 2_655 .
H79A C79 H79B 108.0 . .
C79 C80 N8 112.0(6) . .
C79 C80 H80A 109.2 . .
N8 C80 H80A 109.2 . .
C79 C80 H80B 109.2 . .
N8 C80 H80B 109.2 . .
H80A C80 H80B 107.9 . .
N8 C81 C82 128.3(6) . .
N8 C81 H81A 115.9 . .
C82 C81 H81A 115.9 . .
C83 C82 C87 121.0(7) . .
C83 C82 C81 117.0(7) . .
C87 C82 C81 121.8(6) . .
C82 C83 C84 118.8(8) . .
C82 C83 H83A 120.6 . .
C84 C83 H83A 120.6 . .
C85 C84 C83 121.0(8) . .
C85 C84 H84A 119.5 . .
C83 C84 H84A 119.5 . .
C84 C85 C86 120.4(7) . .
C84 C85 H85A 119.8 . .
C86 C85 H85A 119.8 . .
O16 C86 C85 124.5(6) . .
O16 C86 C87 114.3(6) . .
C85 C86 C87 121.1(7) . .
O15 C87 C82 122.3(6) . .
O15 C87 C86 120.0(6) . .
C82 C87 C86 117.6(7) . .
O16 C88 H88A 109.5 . .
O16 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
O16 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
O17 C89 H89A 109.5 . .
O17 C89 H89B 109.5 . .
H89A C89 H89B 109.5 . .
O17 C89 H89C 109.5 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.5 . .
O17 C90 C91 125.5(8) . .
O17 C90 C95 114.2(7) . .
C91 C90 C95 120.2(10) . .
C90 C91 C92 119.2(10) . .
C90 C91 H91A 120.4 . .
C92 C91 H91A 120.4 . .
C91 C92 C93 122.8(11) . .
C91 C92 H92A 118.6 . .
C93 C92 H92A 118.6 . .
C92 C93 C94 117.3(11) . .
C92 C93 H93A 121.3 . .
C94 C93 H93A 121.3 . .
C95 C94 C93 121.4(10) . .
C95 C94 C96 126.6(9) . .
C93 C94 C96 112.0(10) . .
O18 C95 C94 125.2(8) . .
O18 C95 C90 115.8(8) . .
C94 C95 C90 118.9(8) . .
N9 C96 C94 129.4(9) . .
N9 C96 H96A 115.3 . .
C94 C96 H96A 115.3 . .
C98 C97 N9 111.4(8) . .
C98 C97 H97A 109.3 . .
N9 C97 H97A 109.3 . .
C98 C97 H97B 109.3 . .
N9 C97 H97B 109.3 . .
H97A C97 H97B 108.0 . .
C97 C98 C99' 95.0(12) . .
C97 C98 C99 128.4(11) . .
C99' C98 C99 40.2(9) . .
C97 C98 H98A 105.2 . .
C99' C98 H98A 97.7 . .
C99 C98 H98A 105.2 . .
C97 C98 H98B 105.2 . .
C99' C98 H98B 143.2 . .
C99 C98 H98B 105.2 . .
H98A C98 H98B 105.9 . .
C101 C100 H10D 109.5 . .
C101 C100 H10E 109.5 . .
H10D C100 H10E 109.5 . .
C101 C100 H10F 109.5 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
O20 C101 O19 126.8(5) . .
O20 C101 C100 117.7(5) . .
O19 C101 C100 115.5(5) . .
C103 C102 H10G 109.5 . .
C103 C102 H10H 109.5 . .
H10G C102 H10H 109.5 . .
C103 C102 H10I 109.5 . .
H10G C102 H10I 109.5 . .
H10H C102 H10I 109.5 . .
O21 C103 O22 120.6(7) . .
O21 C103 C102 123.2(7) . .
O22 C103 C102 116.1(7) . .
O21 C103 Cd1 64.4(4) . .
O22 C103 Cd1 56.3(3) . .
C102 C103 Cd1 172.4(6) . .
C105 C104 H10J 109.5 . .
C105 C104 H10K 109.5 . .
H10J C104 H10K 109.5 . .
C105 C104 H10L 109.5 . .
H10J C104 H10L 109.5 . .
H10K C104 H10L 109.5 . .
O23 C105 O24 119.6(6) . .
O23 C105 C104 122.1(6) . .
O24 C105 C104 118.3(6) . .
C107 C106 H10M 109.5 . .
C107 C106 H10N 109.5 . .
H10M C106 H10N 109.5 . .
C107 C106 H10O 109.5 . .
H10M C106 H10O 109.5 . .
H10N C106 H10O 109.5 . .
O26 C107 O25 124.0(6) . .
O26 C107 C106 118.6(7) . .
O25 C107 C106 117.4(6) . .
C109 C108 H10P 109.5 . .
C109 C108 H10Q 109.5 . .
H10P C108 H10Q 109.5 . .
C109 C108 H10R 109.5 . .
H10P C108 H10R 109.5 . .
H10Q C108 H10R 109.5 . .
O28 C109 O27 125.9(5) . .
O28 C109 C108 117.1(6) . .
O27 C109 C108 117.0(6) . .
C111 C110 H11C 109.5 . .
C111 C110 H11D 109.5 . .
H11C C110 H11D 109.5 . .
C111 C110 H11E 109.5 . .
H11C C110 H11E 109.5 . .
H11D C110 H11E 109.5 . .
O29 C111 O30 120.9(7) . .
O29 C111 C110 117.0(7) . .
O30 C111 C110 122.0(7) . .
O29 C111 Cd7 54.8(3) . .
O30 C111 Cd7 66.2(3) . .
C110 C111 Cd7 171.8(6) . .
C113 C112 H11F 109.5 . .
C113 C112 H11G 109.5 . .
H11F C112 H11G 109.5 . .
C113 C112 H11H 109.5 . .
H11F C112 H11H 109.5 . .
H11G C112 H11H 109.5 . .
O32 C113 O31 118.1(5) . .
O32 C113 C112 120.8(6) . .
O31 C113 C112 121.1(6) . .
C115 C114 H11I 109.5 . .
C115 C114 H11J 109.5 . .
H11I C114 H11J 109.5 . .
C115 C114 H11K 109.5 . .
H11I C114 H11K 109.5 . .
H11J C114 H11K 109.5 . .
O34 C115 O33 124.2(7) . .
O34 C115 C114 118.4(8) . .
O33 C115 C114 117.3(8) . .
C117 C116 H11L 109.5 . .
C117 C116 H11M 109.5 . .
H11L C116 H11M 109.5 . .
C117 C116 H11N 109.5 . .
H11L C116 H11N 109.5 . .
H11M C116 H11N 109.5 . .
O35 C117 O36 124.0(6) . .
O35 C117 C116 119.4(6) . .
O36 C117 C116 116.6(6) . .
C119 C118 H11O 109.5 . .
C119 C118 H11P 109.5 . .
H11O C118 H11P 109.5 . .
C119 C118 H11Q 109.5 . .
H11O C118 H11Q 109.5 . .
H11P C118 H11Q 109.5 . .
O37 C119 O38 127.4(9) . .
O37 C119 C118 124.1(10) . .
O38 C119 C118 106.3(10) . .
O37 C119 Cd5 68.4(5) . .
O38 C119 Cd5 59.4(3) . .
C118 C119 Cd5 163.7(9) . .
O37 C119 Yb3 16.1(4) . .
O38 C119 Yb3 132.4(5) . .
C118 C119 Yb3 112.3(7) . .
Cd5 C119 Yb3 77.4(2) . .
C121 C120 H12C 109.5 . .
C121 C120 H12D 109.5 . .
H12C C120 H12D 109.5 . .
C121 C120 H12E 109.5 . .
H12C C120 H12E 109.5 . .
H12D C120 H12E 109.5 . .
O40 C121 O39 119.3(7) . .
O40 C121 C120 119.7(7) . .
O39 C121 C120 120.9(7) . .
O40 C121 Cd4 55.4(3) . .
O39 C121 Cd4 64.1(3) . .
C120 C121 Cd4 172.6(6) . .
C123 C122 H12F 109.5 . .
C123 C122 H12G 109.5 . .
H12F C122 H12G 109.5 . .
C123 C122 H12H 109.5 . .
H12F C122 H12H 109.5 . .
H12G C122 H12H 109.5 . .
O42 C123 O41 123.1(7) . .
O42 C123 C122 120.0(7) . .
O41 C123 C122 117.0(7) . .
C125 C124 H12I 109.5 . .
C125 C124 H12J 109.5 . .
H12I C124 H12J 109.5 . .
C125 C124 H12K 109.5 . .
H12I C124 H12K 109.5 . .
H12J C124 H12K 109.5 . .
O43 C125 O44 118.8(6) . .
O43 C125 C124 121.1(6) . .
O44 C125 C124 120.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O27 2.211(4) .
Yb1 O10 2.238(5) .
Yb1 O11 2.251(5) .
Yb1 O26 2.278(5) .
Yb1 O24 2.352(4) .
Yb1 N6 2.484(6) .
Yb1 O9 2.551(5) .
Yb1 Cl2 2.884(4) .
Yb1 C51 3.196(7) .
Yb1 Cd9 3.6238(12) .
Yb1 Cd8 3.7289(17) .
Yb2 O19 2.213(5) .
Yb2 O2 2.248(5) .
Yb2 O14 2.260(5) .
Yb2 O42 2.303(5) .
Yb2 O44 2.357(5) .
Yb2 N1 2.508(6) .
Yb2 O13 2.538(5) .
Yb2 Cl1 2.646(4) .
Yb2 C73 3.190(7) .
Yb2 Cd3 3.6319(14) .
Yb2 Cd2 3.7334(10) .
Yb3 O35 2.224(5) .
Yb3 O15 2.230(5) .
Yb3 O3 2.239(5) .
Yb3 O34 2.304(5) .
Yb3 O37 2.325(7) .
Yb3 O32 2.364(5) .
Yb3 N8 2.485(6) .
Yb3 O4 2.578(5) .
Yb3 C21 3.195(7) .
Yb3 C119 3.200(10) .
Yb3 Cd6 3.6326(10) .
Yb3 Cd5 3.7235(9) .
Cd1 O6 2.238(5) .
Cd1 O22 2.274(5) .
Cd1 O25 2.292(5) .
Cd1 O5 2.415(5) .
Cd1 O21 2.452(6) .
Cd1 Cl5 2.453(2) .
Cd1 C103 2.718(8) .
Cd2 N7 2.283(6) .
Cd2 O20 2.307(5) .
Cd2 O14 2.312(5) .
Cd2 O23 2.374(5) .
Cd2 O21 2.469(6) .
Cd2 Cl1 2.614(3) .
Cd3 O18 2.243(5) .
Cd3 O41 2.276(5) .
Cd3 N9 2.278(7) .
Cd3 O44 2.289(5) .
Cd3 O2 2.320(5) .
Cd3 O1 2.512(5) .
Cd4 O18 2.245(6) .
Cd4 O40 2.270(6) .
Cd4 O41 2.307(5) .
Cd4 Cl4 2.447(2) .
Cd4 O17 2.457(6) .
Cd4 O39 2.459(6) .
Cd4 C121 2.733(8) .
Cd5 N2 2.285(6) .
Cd5 O36 2.323(5) .
Cd5 O3 2.324(5) .
Cd5 O38 2.343(7) .
Cd5 O43 2.366(5) .
Cd5 O39 2.463(6) .
Cd5 O37 2.532(6) .
Cd5 C119 2.722(9) .
Cd6 O7 2.230(5) .
Cd6 N4 2.273(7) .
Cd6 O32 2.284(5) .
Cd6 O33 2.293(5) .
Cd6 O15 2.328(5) .
Cd6 O16 2.493(5) .
Cd7 O7 2.236(5) .
Cd7 O29 2.250(6) .
Cd7 O33 2.276(5) .
Cd7 O8 2.400(7) .
Cd7 Cl3 2.471(2) .
Cd7 O30 2.499(5) .
Cd7 C111 2.724(8) .
Cd8 N5 2.304(6) .
Cd8 O10 2.309(5) .
Cd8 O31 2.334(5) .
Cd8 O28 2.340(5) .
Cd8 O30 2.460(6) .
Cd8 Cl2 2.549(3) .
Cd9 N3 2.246(6) .
Cd9 O6 2.254(5) .
Cd9 O25 2.255(5) .
Cd9 O24 2.284(5) .
Cd9 O11 2.335(4) .
Cd9 O12 2.492(5) .
N1 C8 1.284(10) .
N1 C9 1.485(9) .
N2 C15 1.293(9) .
N2 C14 1.489(9) .
N3 C30 1.322(9) .
N3 C31 1.461(10) .
N4 C37 1.312(9) .
N4 C36 1.484(10) .
N5 C52 1.273(7) .
N5 C53 1.459(7) .
N6 C59 1.269(8) .
N6 C58 1.491(7) .
N7 C74 1.312(7) .
N7 C75 1.463(6) .
N8 C81 1.258(8) .
N8 C80 1.515(8) .
N9 C96 1.270(10) .
N9 C97 1.495(10) .
O1 C2 1.395(9) .
O1 C1 1.445(9) .
O2 C7 1.325(9) .
O3 C21 1.330(7) .
O4 C20 1.373(9) .
O4 C22 1.453(7) .
O5 C24 1.389(8) .
O5 C23 1.424(8) .
O6 C29 1.289(7) .
O7 C43 1.320(9) .
O8 C42 1.363(11) .
O8 C44 1.436(10) .
O9 C46 1.388(7) .
O9 C45 1.459(7) .
O10 C51 1.329(7) .
O11 C65 1.336(7) .
O12 C64 1.365(7) .
O12 C66 1.452(8) .
O13 C68 1.387(7) .
O13 C67 1.439(7) .
O14 C73 1.322(6) .
O15 C87 1.321(7) .
O16 C86 1.363(7) .
O16 C88 1.435(8) .
O17 C90 1.345(10) .
O17 C89 1.417(9) .
O18 C95 1.322(8) .
O19 C101 1.264(6) .
O20 C101 1.240(6) .
O21 C103 1.241(8) .
O22 C103 1.259(8) .
O23 C105 1.251(7) .
O24 C105 1.275(7) .
O25 C107 1.283(8) .
O26 C107 1.232(7) .
O27 C109 1.254(7) .
O28 C109 1.253(7) .
O29 C111 1.244(8) .
O30 C111 1.278(9) .
O31 C113 1.257(7) .
O32 C113 1.250(7) .
O33 C115 1.265(9) .
O34 C115 1.254(9) .
O35 C117 1.245(7) .
O36 C117 1.261(7) .
O37 C119 0.926(11) .
O38 C119 1.341(9) .
O39 C121 1.276(9) .
O40 C121 1.253(8) .
O41 C123 1.269(8) .
O42 C123 1.243(7) .
O43 C125 1.258(7) .
O44 C125 1.276(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.351(12) .
C2 C7 1.424(10) .
C3 C4 1.396(13) .
C3 H3A 0.9300 .
C4 C5 1.294(13) .
C4 H4A 0.9300 .
C5 C6 1.474(12) .
C5 H5A 0.9300 .
C6 C7 1.395(11) .
C6 C8 1.440(11) .
C8 H8A 0.9300 .
C9 C10 1.498(10) 2_655
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.491(10) .
C10 C9 1.498(10) 2_655
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.527(11) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.521(10) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.515(10) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.457(10) .
C15 H15A 0.9300 .
C16 C17 1.397(10) .
C16 C21 1.404(8) .
C17 C18 1.421(11) .
C17 H17A 0.9300 .
C18 C19 1.362(13) .
C18 H18A 0.9300 .
C19 C20 1.380(11) .
C19 H19A 0.9300 .
C20 C21 1.437(7) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C25 1.372(11) .
C24 C29 1.442(10) .
C25 C26 1.381(12) .
C25 H25A 0.9300 .
C26 C27 1.379(12) .
C26 H26A 0.9300 .
C27 C28 1.434(11) .
C27 H27A 0.9300 .
C28 C30 1.393(11) .
C28 C29 1.437(10) .
C30 H30A 0.9300 .
C31 C32 1.524(16) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.61(2) .
C32 C33' 1.653(18) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.08(2) 2_655
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33' C34' 1.01(2) 2_655
C33' H33D 0.9700 .
C33' H33F 0.9700 .
C34 C33 1.08(2) 2_655
C34 C35 1.568(17) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34' C33' 1.01(2) 2_655
C34' C35 1.65(2) .
C34' H34D 0.9700 .
C34' H34F 0.9700 .
C99 C99 1.04(3) 2_655
C99 C98 1.623(18) .
C99 H99A 0.9700 .
C99 H99C 0.9700 .
C99' C99' 0.98(3) 2_655
C99' C98 1.62(2) .
C99' H99D 0.9700 .
C99' H99E 0.9700 .
C35 C36 1.501(17) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.443(13) .
C37 H37A 0.9300 .
C38 C43 1.396(12) .
C38 C39 1.416(13) .
C39 C40 1.438(17) .
C39 H39A 0.9300 .
C40 C41 1.390(17) .
C40 H40A 0.9300 .
C41 C42 1.339(13) .
C41 H41A 0.9300 .
C42 C43 1.437(11) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 C47 1.364(10) .
C46 C51 1.397(10) .
C47 C48 1.419(11) .
C47 H47A 0.9300 .
C48 C49 1.357(11) .
C48 H48A 0.9300 .
C49 C50 1.416(10) .
C49 H49A 0.9300 .
C50 C51 1.424(10) .
C50 C52 1.444(10) .
C52 H52A 0.9300 .
C53 C54 1.529(10) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 C55 1.507(9) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.524(10) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C57 1.510(10) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58 1.547(10) 2_655
C57 H57B 0.9700 .
C57 H57C 0.9700 .
C58 C57 1.547(10) 2_655
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 C60 1.474(11) .
C59 H59A 0.9300 .
C60 C61 1.390(11) .
C60 C65 1.416(10) .
C61 C62 1.402(12) .
C61 H61A 0.9300 .
C62 C63 1.401(12) .
C62 H62A 0.9300 .
C63 C64 1.375(11) .
C63 H63A 0.9300 .
C64 C65 1.422(10) .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C68 C69 1.392(10) .
C68 C73 1.396(10) .
C69 C70 1.391(11) .
C69 H69A 0.9300 .
C70 C71 1.375(11) .
C70 H70A 0.9300 .
C71 C72 1.400(10) .
C71 H71A 0.9300 .
C72 C73 1.421(10) .
C72 C74 1.429(10) .
C74 H74A 0.9300 .
C75 C76 1.492(9) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 C77 1.503(10) .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C77 C78 1.520(10) .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 C79 1.546(10) 2_655
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C79 C80 1.512(10) .
C79 C78 1.546(10) 2_655
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 C82 1.456(10) .
C81 H81A 0.9300 .
C82 C83 1.406(11) .
C82 C87 1.418(10) .
C83 C84 1.419(11) .
C83 H83A 0.9300 .
C84 C85 1.372(11) .
C84 H84A 0.9300 .
C85 C86 1.386(10) .
C85 H85A 0.9300 .
C86 C87 1.431(10) .
C88 H88A 0.9600 .
C88 H88B 0.9600 .
C88 H88C 0.9600 .
C89 H89A 0.9600 .
C89 H89B 0.9600 .
C89 H89C 0.9600 .
C90 C91 1.364(13) .
C90 C95 1.477(12) .
C91 C92 1.381(16) .
C91 H91A 0.9300 .
C92 C93 1.418(16) .
C92 H92A 0.9300 .
C93 C94 1.422(14) .
C93 H93A 0.9300 .
C94 C95 1.356(13) .
C94 C96 1.435(13) .
C96 H96A 0.9300 .
C97 C98 1.492(15) .
C97 H97A 0.9700 .
C97 H97B 0.9700 .
C98 H98A 0.9700 .
C98 H98B 0.9700 .
C100 C101 1.543(9) .
C100 H10D 0.9600 .
C100 H10E 0.9600 .
C100 H10F 0.9600 .
C102 C103 1.494(11) .
C102 H10G 0.9600 .
C102 H10H 0.9600 .
C102 H10I 0.9600 .
C104 C105 1.509(10) .
C104 H10J 0.9600 .
C104 H10K 0.9600 .
C104 H10L 0.9600 .
C106 C107 1.523(11) .
C106 H10M 0.9600 .
C106 H10N 0.9600 .
C106 H10O 0.9600 .
C108 C109 1.481(9) .
C108 H10P 0.9600 .
C108 H10Q 0.9600 .
C108 H10R 0.9600 .
C110 C111 1.497(12) .
C110 H11C 0.9600 .
C110 H11D 0.9600 .
C110 H11E 0.9600 .
C112 C113 1.494(10) .
C112 H11F 0.9600 .
C112 H11G 0.9600 .
C112 H11H 0.9600 .
C114 C115 1.514(13) .
C114 H11I 0.9600 .
C114 H11J 0.9600 .
C114 H11K 0.9600 .
C116 C117 1.480(10) .
C116 H11L 0.9600 .
C116 H11M 0.9600 .
C116 H11N 0.9600 .
C118 C119 1.650(18) .
C118 H11O 0.9600 .
C118 H11P 0.9600 .
C118 H11Q 0.9600 .
C120 C121 1.495(11) .
C120 H12C 0.9600 .
C120 H12D 0.9600 .
C120 H12E 0.9600 .
C122 C123 1.488(12) .
C122 H12F 0.9600 .
C122 H12G 0.9600 .
C122 H12H 0.9600 .
C124 C125 1.514(10) .
C124 H12I 0.9600 .
C124 H12J 0.9600 .
C124 H12K 0.9600 .
