#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/99/4119910.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_4119910
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            'C770 H1144 Cd48 N48 O360 Yb16'
_chemical_formula_weight         24997.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   54.549(11)
_cell_length_b                   61.511(12)
_cell_length_c                   79.622(16)
_cell_measurement_reflns_used    28210
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.3280
_cell_measurement_theta_min      1.5965
_cell_volume                     267161(9)
_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 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0781
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_h_min       -64
_diffrn_reflns_limit_k_max       70
_diffrn_reflns_limit_k_min       -71
_diffrn_reflns_limit_l_max       94
_diffrn_reflns_limit_l_min       -94
_diffrn_reflns_number            535815
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.918
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7210
_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    1.243
_exptl_crystal_description       Block
_exptl_crystal_F_000             99232
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.321
_refine_diff_density_min         -2.117
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2989
_refine_ls_number_reflns         57717
_refine_ls_number_restraints     2005
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.1399
_refine_ls_R_factor_gt           0.0790
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1090P)²+17685.0762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2089
_refine_ls_wR_factor_ref         0.2945
_reflns_number_gt                35479
_reflns_number_total             57717
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja4031243_si_005.cif
_cod_data_source_block           complex-4
_cod_original_cell_volume        267162(92)
_cod_original_sg_symbol_Hall     -F2uv2vw
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4119910
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'
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
Yb1 Yb 0.498563(12) 0.648508(13) 0.436721(8) 0.05673(19) Uani 1 1 d U
Yb2 Yb 0.571222(12) 0.730431(13) 0.305881(9) 0.0604(2) Uani 1 1 d U
Yb3 Yb 0.653609(12) 0.740873(14) 0.438038(9) 0.0653(2) Uani 1 1 d U
Yb4 Yb 0.745357(12) 0.674454(14) 0.309216(9) 0.0622(2) Uani 1 1 d U
Cd5 Cd 0.690334(18) 0.713655(19) 0.310865(12) 0.0499(3) Uani 1 1 d U
Cd6 Cd 0.709112(17) 0.70181(2) 0.436314(13) 0.0524(3) Uani 1 1 d U
Cd7 Cd 0.525858(18) 0.681625(19) 0.308033(13) 0.0522(3) Uani 1 1 d U
Cd8 Cd 0.590286(18) 0.76102(2) 0.441579(12) 0.0525(3) Uani 1 1 d U
Cd9 Cd 0.667808(17) 0.759455(19) 0.269893(12) 0.0499(3) Uani 1 1 d U
Cd10 Cd 0.782712(17) 0.625552(19) 0.306210(12) 0.0481(3) Uani 1 1 d U
Cd11 Cd 0.77737(2) 0.59203(2) 0.269645(14) 0.0588(3) Uani 1 1 d U
Cd12 Cd 0.627061(17) 0.764695(19) 0.304836(12) 0.0474(3) Uani 1 1 d U
Cd13 Cd 0.472399(16) 0.593442(18) 0.441963(11) 0.0449(2) Uani 1 1 d U
Cd14 Cd 0.543092(17) 0.697305(19) 0.434148(12) 0.0491(3) Uani 1 1 d U
Cd15 Cd 0.489792(17) 0.562086(19) 0.478187(12) 0.0496(3) Uani 1 1 d U
Cd16 Cd 0.55454(2) 0.74329(2) 0.476668(13) 0.0591(3) Uani 1 1 d U
N1 N 0.7737(2) 0.7015(2) 0.32481(14) 0.052(3) Uani 1 1 d U
N2 N 0.74303(19) 0.7231(2) 0.43013(14) 0.048(3) Uani 1 1 d U
N3 N 0.7070(2) 0.7465(2) 0.31927(14) 0.051(3) Uani 1 1 d U
N4 N 0.6766(2) 0.7726(2) 0.42432(14) 0.051(3) Uani 1 1 d U
N5 N 0.6348(2) 0.7893(2) 0.32504(15) 0.059(3) Uani 1 1 d U
N6 N 0.5748(2) 0.7841(2) 0.42234(15) 0.058(3) Uani 1 1 d U
N7 N 0.53961(19) 0.75603(19) 0.31970(13) 0.047(3) Uani 1 1 d U
N8 N 0.5192(2) 0.7270(2) 0.42634(13) 0.048(3) Uani 1 1 d U
N9 N 0.48883(19) 0.69751(19) 0.31593(13) 0.046(3) Uani 1 1 d U
N10 N 0.46425(19) 0.66999(19) 0.42220(13) 0.048(3) Uani 1 1 d U
N11 N 0.4403(2) 0.63240(19) 0.32728(14) 0.051(3) Uani 1 1 d U
H11A H 0.4510 0.6309 0.3194 0.061 Uiso 1 1 calc R
N12 N 0.4430(2) 0.5806(2) 0.42428(14) 0.054(3) Uani 1 1 d U
O1 O 0.81892(17) 0.64162(17) 0.29000(12) 0.057(3) Uani 1 1 d U
O2 O 0.78581(16) 0.66266(16) 0.30835(11) 0.051(2) Uani 1 1 d U
O3 O 0.69487(16) 0.73567(16) 0.44391(11) 0.050(2) Uani 1 1 d U
O4 O 0.67125(17) 0.76122(17) 0.46336(12) 0.054(2) Uani 1 1 d U
O5 O 0.76502(16) 0.69558(17) 0.28475(12) 0.055(2) Uani 1 1 d U
O6 O 0.73082(17) 0.70874(16) 0.30383(12) 0.052(2) Uani 1 1 d U
O7 O 0.62996(17) 0.77280(18) 0.44047(12) 0.055(2) Uani 1 1 d U
O8 O 0.59820(19) 0.79508(19) 0.45851(13) 0.065(3) Uani 1 1 d U
O9 O 0.70321(17) 0.78206(18) 0.27719(12) 0.059(3) Uani 1 1 d U
O10 O 0.66300(16) 0.77666(16) 0.29475(11) 0.050(2) Uani 1 1 d U
O11 O 0.55288(16) 0.76320(17) 0.45269(12) 0.054(2) Uani 1 1 d U
O12 O 0.51552(17) 0.76149(17) 0.47310(12) 0.057(3) Uani 1 1 d U
O13 O 0.61025(17) 0.79499(16) 0.28696(12) 0.055(2) Uani 1 1 d U
O14 O 0.58512(16) 0.76671(15) 0.30511(11) 0.047(2) Uani 1 1 d U
O15 O 0.50485(15) 0.68537(16) 0.44164(11) 0.047(2) Uani 1 1 d U
O16 O 0.47635(16) 0.66627(16) 0.46275(10) 0.047(2) Uani 1 1 d U
O17 O 0.54822(17) 0.74580(17) 0.27986(11) 0.056(2) Uani 1 1 d U
O18 O 0.53168(16) 0.71716(15) 0.30011(11) 0.047(2) Uani 1 1 d U
O19 O 0.46146(15) 0.62933(15) 0.43956(10) 0.043(2) Uani 1 1 d U
O20 O 0.43593(16) 0.60426(16) 0.45972(11) 0.050(2) Uani 1 1 d U
O21 O 0.44741(18) 0.68875(17) 0.27610(12) 0.059(3) Uani 1 1 d U
O22 O 0.45366(17) 0.65506(17) 0.29508(12) 0.054(2) Uani 1 1 d U
O23 O 0.46760(15) 0.56068(16) 0.45410(11) 0.048(2) Uani 1 1 d U
O24 O 0.47103(17) 0.52666(16) 0.47354(12) 0.054(2) Uani 1 1 d U
O25 O 0.8115(3) 0.5994(2) 0.25327(17) 0.088(4) Uani 1 1 d U
O26 O 0.7799(2) 0.6178(2) 0.24452(16) 0.085(4) Uani 1 1 d U
O27 O 0.75111(19) 0.57134(18) 0.25375(13) 0.062(3) Uani 1 1 d U
O28 O 0.76242(17) 0.62342(17) 0.28092(12) 0.056(2) Uani 1 1 d U
O29 O 0.74192(18) 0.65390(17) 0.28380(12) 0.056(2) Uani 1 1 d U
O30 O 0.74247(16) 0.60151(16) 0.31504(12) 0.052(2) Uani 1 1 d U
O31 O 0.74655(17) 0.63680(16) 0.31870(12) 0.055(2) Uani 1 1 d U
O32 O 0.72820(18) 0.67823(17) 0.33550(12) 0.058(3) Uani 1 1 d U
O33 O 0.69255(19) 0.69686(17) 0.33694(12) 0.060(3) Uani 1 1 d U
O34 O 0.70331(18) 0.66781(18) 0.30488(13) 0.062(3) Uani 1 1 d U
O35 O 0.66895(18) 0.68555(18) 0.29931(13) 0.062(3) Uani 1 1 d U
O36 O 0.68767(16) 0.72807(16) 0.28269(11) 0.050(2) Uani 1 1 d U
O37 O 0.69015(17) 0.73401(17) 0.25595(12) 0.056(2) Uani 1 1 d U
O38 O 0.66521(18) 0.78813(19) 0.25148(13) 0.065(3) Uani 1 1 d U
O39 O 0.6404(2) 0.76182(19) 0.24459(13) 0.066(3) Uani 1 1 d U
O40 O 0.65256(16) 0.73045(17) 0.31612(12) 0.053(2) Uani 1 1 d U
O41 O 0.61285(17) 0.73276(16) 0.31715(12) 0.053(2) Uani 1 1 d U
O42 O 0.63197(16) 0.74570(17) 0.28058(11) 0.053(2) Uani 1 1 d U
O43 O 0.59653(17) 0.72790(18) 0.28153(12) 0.058(3) Uani 1 1 d U
O44 O 0.57867(18) 0.69345(17) 0.30204(14) 0.062(3) Uani 1 1 d U
O45 O 0.55772(18) 0.66305(18) 0.29725(14) 0.066(3) Uani 1 1 d U
O46 O 0.56541(17) 0.71542(17) 0.33219(12) 0.057(3) Uani 1 1 d U
O47 O 0.54446(17) 0.68443(18) 0.33414(12) 0.060(3) Uani 1 1 d U
O48 O 0.50789(18) 0.67655(18) 0.28068(12) 0.060(3) Uani 1 1 d U
O49 O 0.73546(16) 0.67247(16) 0.42987(11) 0.051(2) Uani 1 1 d U
O50 O 0.74702(16) 0.63872(16) 0.42689(11) 0.049(2) Uani 1 1 d U
O51 O 0.72325(17) 0.69965(17) 0.46466(12) 0.054(2) Uani 1 1 d U
O52 O 0.69178(18) 0.70248(18) 0.40984(13) 0.060(3) Uani 1 1 d U
O53 O 0.66304(17) 0.72835(17) 0.41142(12) 0.057(3) Uani 1 1 d U
O54 O 0.68222(18) 0.67628(18) 0.44473(13) 0.062(3) Uani 1 1 d U
O55 O 0.65527(19) 0.70249(19) 0.44029(14) 0.066(3) Uani 1 1 d U
O56 O 0.63181(17) 0.73135(18) 0.46289(12) 0.059(3) Uani 1 1 d U
O57 O 0.59278(17) 0.74004(17) 0.46504(12) 0.057(2) Uani 1 1 d U
O58 O 0.61258(16) 0.73466(18) 0.42741(13) 0.058(3) Uani 1 1 d U
O59 O 0.57508(15) 0.72213(16) 0.42937(11) 0.050(2) Uani 1 1 d U
O60 O 0.5652(2) 0.7699(2) 0.49457(15) 0.080(3) Uani 1 1 d U
O61 O 0.5835(2) 0.7401(2) 0.50355(15) 0.083(3) Uani 1 1 d U
O62 O 0.5366(2) 0.71391(19) 0.48972(13) 0.066(3) Uani 1 1 d U
O63 O 0.54385(18) 0.71009(19) 0.46291(12) 0.061(3) Uani 1 1 d U
O64 O 0.57168(17) 0.67331(17) 0.44306(13) 0.058(3) Uani 1 1 d U
O65 O 0.54120(16) 0.65010(17) 0.43941(12) 0.055(2) Uani 1 1 d U
O66 O 0.54286(18) 0.68070(16) 0.40793(12) 0.056(2) Uani 1 1 d U
O67 O 0.51371(16) 0.65511(16) 0.40999(11) 0.050(2) Uani 1 1 d U
O68 O 0.50859(17) 0.62921(16) 0.46182(11) 0.050(2) Uani 1 1 d U
O69 O 0.49580(16) 0.59521(16) 0.46559(11) 0.049(2) Uani 1 1 d U
O70 O 0.4891(2) 0.58699(19) 0.50394(14) 0.075(3) Uani 1 1 d U
O71 O 0.4581(2) 0.56616(18) 0.49685(13) 0.064(3) Uani 1 1 d U
O72 O 0.52229(18) 0.54590(18) 0.49186(12) 0.059(3) Uani 1 1 d U
C1 C 0.8372(3) 0.6282(3) 0.2821(2) 0.073(5) Uani 1 1 d U
H1A H 0.8445 0.6360 0.2729 0.109 Uiso 1 1 calc R
H1B H 0.8296 0.6152 0.2779 0.109 Uiso 1 1 calc R
H1C H 0.8496 0.6245 0.2901 0.109 Uiso 1 1 calc R
C2 C 0.8258(2) 0.6612(3) 0.29586(19) 0.052(3) Uani 1 1 d U
C3 C 0.8486(3) 0.6704(3) 0.2928(2) 0.062(4) Uani 1 1 d U
H3A H 0.8600 0.6629 0.2863 0.074 Uiso 1 1 calc R
C4 C 0.8545(3) 0.6907(3) 0.2993(2) 0.067(4) Uani 1 1 d U
H4A H 0.8697 0.6969 0.2972 0.081 Uiso 1 1 calc R
C5 C 0.8368(3) 0.7017(3) 0.3089(2) 0.066(4) Uani 1 1 d U
H5A H 0.8406 0.7152 0.3136 0.079 Uiso 1 1 calc R
C6 C 0.8133(2) 0.6925(2) 0.31176(18) 0.050(3) Uani 1 1 d U
C7 C 0.8076(3) 0.6721(3) 0.30567(18) 0.053(4) Uani 1 1 d U
C8 C 0.7969(3) 0.7050(3) 0.32188(19) 0.058(4) Uani 1 1 d U
H8A H 0.8035 0.7172 0.3270 0.069 Uiso 1 1 calc R
C9 C 0.7624(3) 0.7158(3) 0.33710(18) 0.057(4) Uani 1 1 d U
H9A H 0.7448 0.7161 0.3353 0.069 Uiso 1 1 calc R
H9B H 0.7686 0.7304 0.3357 0.069 Uiso 1 1 calc R
C10 C 0.7679(3) 0.7077(3) 0.35467(19) 0.065(4) Uani 1 1 d U
H10A H 0.7629 0.6926 0.3554 0.078 Uiso 1 1 calc R
H10B H 0.7855 0.7083 0.3564 0.078 Uiso 1 1 calc R
C11 C 0.7558(3) 0.7201(3) 0.36856(18) 0.061(4) Uani 1 1 d U
H11B H 0.7381 0.7187 0.3675 0.073 Uiso 1 1 calc R
H11C H 0.7598 0.7354 0.3675 0.073 Uiso 1 1 calc R
C12 C 0.7637(3) 0.7120(3) 0.38605(19) 0.062(4) Uani 1 1 d U
H12A H 0.7617 0.6964 0.3864 0.074 Uiso 1 1 calc R
H12B H 0.7810 0.7152 0.3876 0.074 Uiso 1 1 calc R
C13 C 0.7499(3) 0.7217(3) 0.40014(17) 0.058(4) Uani 1 1 d U
H13A H 0.7330 0.7169 0.3995 0.069 Uiso 1 1 calc R
H13B H 0.7500 0.7374 0.3989 0.069 Uiso 1 1 calc R
C14 C 0.7598(2) 0.7160(3) 0.41694(17) 0.051(3) Uani 1 1 d U
H14A H 0.7621 0.7004 0.4177 0.061 Uiso 1 1 calc R
H14B H 0.7757 0.7229 0.4185 0.061 Uiso 1 1 calc R
C15 C 0.7487(2) 0.7404(2) 0.43813(16) 0.045(3) Uani 1 1 d U
H15A H 0.7643 0.7458 0.4360 0.054 Uiso 1 1 calc R
C16 C 0.7344(3) 0.7529(2) 0.44988(17) 0.050(3) Uani 1 1 d U
C17 C 0.7463(3) 0.7694(2) 0.45883(19) 0.056(4) Uani 1 1 d U
H17A H 0.7630 0.7715 0.4572 0.068 Uiso 1 1 calc R
C18 C 0.7340(3) 0.7826(3) 0.4700(2) 0.065(4) Uani 1 1 d U
H18A H 0.7426 0.7929 0.4762 0.078 Uiso 1 1 calc R
C19 C 0.7089(3) 0.7804(3) 0.47198(19) 0.060(4) Uani 1 1 d U
H19A H 0.7005 0.7894 0.4794 0.072 Uiso 1 1 calc R
C20 C 0.6965(3) 0.7647(2) 0.46291(18) 0.053(4) Uani 1 1 d U
C21 C 0.7089(2) 0.7505(2) 0.45182(16) 0.046(3) Uani 1 1 d U
C22 C 0.6576(3) 0.7722(3) 0.4764(2) 0.066(4) Uani 1 1 d U
H22A H 0.6688 0.7785 0.4843 0.099 Uiso 1 1 calc R
H22B H 0.6472 0.7619 0.4821 0.099 Uiso 1 1 calc R
H22C H 0.6477 0.7834 0.4715 0.099 Uiso 1 1 calc R
C23 C 0.7814(3) 0.6870(3) 0.2720(2) 0.064(4) Uani 1 1 d U
H23A H 0.7819 0.6968 0.2626 0.096 Uiso 1 1 calc R
H23B H 0.7755 0.6731 0.2683 0.096 Uiso 1 1 calc R
H23C H 0.7975 0.6854 0.2766 0.096 Uiso 1 1 calc R
C24 C 0.7629(3) 0.7180(3) 0.28585(18) 0.055(4) Uani 1 1 d U
C25 C 0.7769(3) 0.7328(3) 0.2773(2) 0.071(5) Uani 1 1 d U
H25A H 0.7880 0.7280 0.2692 0.086 Uiso 1 1 calc R
C26 C 0.7750(3) 0.7543(3) 0.2805(2) 0.074(5) Uani 1 1 d U
H26A H 0.7854 0.7640 0.2750 0.089 Uiso 1 1 calc R
C27 C 0.7577(3) 0.7619(3) 0.2918(2) 0.065(4) Uani 1 1 d U
H27A H 0.7477 0.7725 0.2859 0.078 Uiso 1 1 calc R
H27B H 0.7665 0.7697 0.3005 0.078 Uiso 1 1 calc R
C28 C 0.7416(3) 0.7470(3) 0.29991(18) 0.054(4) Uani 1 1 d U
C29 C 0.7447(3) 0.7247(3) 0.29689(17) 0.051(3) Uani 1 1 d U
C30 C 0.7249(3) 0.7562(3) 0.31197(19) 0.056(4) Uani 1 1 d U
H30A H 0.7273 0.7707 0.3147 0.067 Uiso 1 1 calc R
C31 C 0.6947(3) 0.7588(3) 0.33271(18) 0.056(4) Uani 1 1 d U
H31A H 0.6772 0.7561 0.3324 0.067 Uiso 1 1 calc R
H31B H 0.6973 0.7743 0.3310 0.067 Uiso 1 1 calc R
C32 C 0.7048(3) 0.7521(3) 0.34951(19) 0.064(4) Uani 1 1 d U
H32A H 0.7220 0.7561 0.3502 0.077 Uiso 1 1 calc R
H32B H 0.7035 0.7365 0.3508 0.077 Uiso 1 1 calc R
C33 C 0.6907(3) 0.7633(3) 0.3636(2) 0.068(4) Uani 1 1 d U
H33A H 0.6740 0.7579 0.3637 0.082 Uiso 1 1 calc R
H33B H 0.6900 0.7788 0.3613 0.082 Uiso 1 1 calc R
C34 C 0.7023(3) 0.7597(3) 0.38081(19) 0.065(4) Uani 1 1 d U
H34A H 0.7043 0.7442 0.3828 0.078 Uiso 1 1 calc R
H34B H 0.7184 0.7664 0.3811 0.078 Uiso 1 1 calc R
C35 C 0.6863(3) 0.7694(3) 0.39429(19) 0.065(4) Uani 1 1 d U
H35A H 0.6703 0.7626 0.3938 0.079 Uiso 1 1 calc R
H35B H 0.6841 0.7848 0.3919 0.079 Uiso 1 1 calc R
C36 C 0.6962(3) 0.7670(3) 0.41198(18) 0.059(4) Uani 1 1 d U
H36A H 0.7017 0.7522 0.4138 0.071 Uiso 1 1 calc R
H36B H 0.7102 0.7766 0.4135 0.071 Uiso 1 1 calc R
C37 C 0.6755(3) 0.7925(3) 0.42822(19) 0.060(4) Uani 1 1 d U
H37A H 0.6881 0.8012 0.4241 0.072 Uiso 1 1 calc R
C38 C 0.6571(3) 0.8038(3) 0.43834(19) 0.058(4) Uani 1 1 d U
C39 C 0.6615(3) 0.8250(3) 0.4428(2) 0.075(5) Uani 1 1 d U
H39A H 0.6641 0.8329 0.4324 0.090 Uiso 1 1 calc R
H39B H 0.6769 0.8252 0.4488 0.090 Uiso 1 1 calc R
C40 C 0.6454(4) 0.8372(3) 0.4520(3) 0.086(6) Uani 1 1 d U
H40A H 0.6490 0.8515 0.4549 0.103 Uiso 1 1 calc R
C41 C 0.6239(4) 0.8275(3) 0.4569(2) 0.080(5) Uani 1 1 d U
H41A H 0.6125 0.8355 0.4630 0.095 Uiso 1 1 calc R
C42 C 0.6190(3) 0.8066(3) 0.4532(2) 0.065(4) Uani 1 1 d U
C43 C 0.6352(3) 0.7929(3) 0.44387(19) 0.055(4) Uani 1 1 d U
C44 C 0.5794(3) 0.8077(3) 0.4670(2) 0.078(5) Uani 1 1 d U
H44A H 0.5864 0.8146 0.4768 0.118 Uiso 1 1 calc R
H44B H 0.5663 0.7983 0.4704 0.118 Uiso 1 1 calc R
H44C H 0.5732 0.8187 0.4595 0.118 Uiso 1 1 calc R
C45 C 0.7198(3) 0.7887(3) 0.2641(2) 0.066(4) Uani 1 1 d U
H45A H 0.7328 0.7972 0.2688 0.098 Uiso 1 1 calc R
H45B H 0.7111 0.7973 0.2559 0.098 Uiso 1 1 calc R
H45C H 0.7265 0.7761 0.2587 0.098 Uiso 1 1 calc R
C46 C 0.6994(3) 0.7965(3) 0.2900(2) 0.066(4) Uani 1 1 d U
C47 C 0.7151(4) 0.8133(4) 0.2944(3) 0.091(6) Uani 1 1 d U
H47A H 0.7291 0.8159 0.2881 0.109 Uiso 1 1 calc R
C48 C 0.7103(4) 0.8257(4) 0.3077(3) 0.104(7) Uani 1 1 d U
H48B H 0.7216 0.8361 0.3110 0.125 Uiso 1 1 calc R
C49 C 0.6886(4) 0.8232(4) 0.3167(3) 0.108(7) Uani 1 1 d U
H49A H 0.6849 0.8331 0.3251 0.129 Uiso 1 1 calc R
C50 C 0.6719(3) 0.8060(3) 0.3133(2) 0.075(5) Uani 1 1 d U
C51 C 0.6771(3) 0.7924(3) 0.29921(17) 0.053(3) Uani 1 1 d U
C52 C 0.6517(3) 0.8033(3) 0.3251(2) 0.068(4) Uani 1 1 d U
H52A H 0.6513 0.8132 0.3340 0.082 Uiso 1 1 calc R
C53 C 0.6173(3) 0.7903(3) 0.3395(2) 0.072(5) Uani 1 1 d U
H53A H 0.6005 0.7903 0.3354 0.086 Uiso 1 1 calc R
H53B H 0.6199 0.8035 0.3459 0.086 Uiso 1 1 calc R
C54 C 0.6218(4) 0.7698(4) 0.3509(3) 0.091(6) Uani 1 1 d U
H54A H 0.6209 0.7569 0.3440 0.109 Uiso 1 1 calc R
H54B H 0.6382 0.7707 0.3555 0.109 Uiso 1 1 calc R
C55 C 0.6032(4) 0.7676(4) 0.3657(3) 0.104(7) Uani 1 1 d U
H55A H 0.5871 0.7712 0.3614 0.125 Uiso 1 1 calc R
H55B H 0.6028 0.7524 0.3690 0.125 Uiso 1 1 calc R
C56 C 0.6074(4) 0.7799(4) 0.3797(2) 0.089(6) Uani 1 1 d U
H56A H 0.6050 0.7950 0.3770 0.107 Uiso 1 1 calc R
H56B H 0.6244 0.7781 0.3831 0.107 Uiso 1 1 calc R
C57 C 0.5908(4) 0.7740(4) 0.3948(2) 0.091(6) Uani 1 1 d U
H57A H 0.5742 0.7719 0.3908 0.109 Uiso 1 1 calc R
H57B H 0.5963 0.7602 0.3995 0.109 Uiso 1 1 calc R
C58 C 0.5906(3) 0.7900(3) 0.4081(2) 0.066(4) Uani 1 1 d U
H58A H 0.5850 0.8038 0.4036 0.080 Uiso 1 1 calc R
H58B H 0.6072 0.7921 0.4122 0.080 Uiso 1 1 calc R
C59 C 0.5538(3) 0.7931(3) 0.42303(19) 0.059(4) Uani 1 1 d U
H59A H 0.5503 0.8025 0.4142 0.071 Uiso 1 1 calc R
C60 C 0.5345(3) 0.7908(3) 0.4355(2) 0.059(4) Uani 1 1 d U
C61 C 0.5132(3) 0.8031(3) 0.4326(2) 0.065(4) Uani 1 1 d U
H61A H 0.5127 0.8126 0.4235 0.078 Uiso 1 1 calc R
C62 C 0.4930(4) 0.8011(3) 0.4429(2) 0.079(5) Uani 1 1 d U
H62A H 0.4790 0.8091 0.4404 0.095 Uiso 1 1 calc R
C63 C 0.4927(3) 0.7881(3) 0.4562(2) 0.065(4) Uani 1 1 d U
H63A H 0.4790 0.7872 0.4631 0.078 Uiso 1 1 calc R
C64 C 0.5135(3) 0.7759(3) 0.4595(2) 0.059(4) Uani 1 1 d U
C65 C 0.5346(2) 0.7762(3) 0.44887(18) 0.052(3) Uani 1 1 d U
C66 C 0.4985(3) 0.7635(3) 0.4866(2) 0.072(5) Uani 1 1 d U
H66A H 0.4831 0.7688 0.4824 0.108 Uiso 1 1 calc R
H66B H 0.5048 0.7735 0.4948 0.108 Uiso 1 1 calc R
H66C H 0.4961 0.7496 0.4917 0.108 Uiso 1 1 calc R
C67 C 0.6240(3) 0.8099(3) 0.2768(2) 0.071(5) Uani 1 1 d U
H67A H 0.6129 0.8198 0.2713 0.107 Uiso 1 1 calc R
H67B H 0.6331 0.8020 0.2685 0.107 Uiso 1 1 calc R
H67C H 0.6351 0.8179 0.2838 0.107 Uiso 1 1 calc R
C68 C 0.5854(3) 0.8001(3) 0.28906(18) 0.054(4) Uani 1 1 d U
C69 C 0.5731(3) 0.8165(3) 0.2818(2) 0.064(4) Uani 1 1 d U
H69A H 0.5750 0.8149 0.2698 0.077 Uiso 1 1 calc R
H69B H 0.5814 0.8299 0.2849 0.077 Uiso 1 1 calc R
C70 C 0.5480(3) 0.8197(3) 0.2849(2) 0.077(5) Uani 1 1 d U
H70A H 0.5395 0.8311 0.2798 0.093 Uiso 1 1 calc R
C71 C 0.5365(3) 0.8055(3) 0.2955(2) 0.072(5) Uani 1 1 d U
H71A H 0.5199 0.8076 0.2977 0.086 Uiso 1 1 calc R
C72 C 0.5482(3) 0.7884(2) 0.30318(18) 0.054(4) Uani 1 1 d U
C73 C 0.5733(3) 0.7842(3) 0.29967(18) 0.054(4) Uani 1 1 d U
C74 C 0.5338(3) 0.7746(3) 0.31417(18) 0.056(4) Uani 1 1 d U
H74A H 0.5186 0.7800 0.3175 0.067 Uiso 1 1 calc R
C75 C 0.5229(2) 0.7473(2) 0.33282(16) 0.048(3) Uani 1 1 d U
H75A H 0.5211 0.7317 0.3315 0.057 Uiso 1 1 calc R
H75B H 0.5068 0.7538 0.3317 0.057 Uiso 1 1 calc R
C76 C 0.5336(3) 0.7525(3) 0.35023(17) 0.054(4) Uani 1 1 d U
H76A H 0.5325 0.7680 0.3523 0.065 Uiso 1 1 calc R
H76B H 0.5509 0.7485 0.3504 0.065 Uiso 1 1 calc R
C77 C 0.5201(3) 0.7401(3) 0.36448(17) 0.052(3) Uani 1 1 d U
H77A H 0.5028 0.7440 0.3643 0.062 Uiso 1 1 calc R
H77B H 0.5214 0.7246 0.3626 0.062 Uiso 1 1 calc R
C78 C 0.5305(3) 0.7456(3) 0.38143(16) 0.052(3) Uani 1 1 d U
H78A H 0.5481 0.7430 0.3811 0.062 Uiso 1 1 calc R
H78B H 0.5281 0.7610 0.3835 0.062 Uiso 1 1 calc R
C79 C 0.5198(3) 0.7330(2) 0.39579(16) 0.048(3) Uani 1 1 d U
H79A H 0.5247 0.7179 0.3948 0.057 Uiso 1 1 calc R
H79B H 0.5021 0.7336 0.3950 0.057 Uiso 1 1 calc R
C80 C 0.5276(2) 0.7413(2) 0.41291(16) 0.046(3) Uani 1 1 d U
H80A H 0.5453 0.7424 0.4133 0.055 Uiso 1 1 calc R
H80B H 0.5209 0.7558 0.4146 0.055 Uiso 1 1 calc R
C81 C 0.5002(2) 0.7331(2) 0.43393(17) 0.048(3) Uani 1 1 d U
H81A H 0.4942 0.7469 0.4312 0.057 Uiso 1 1 calc R
C82 C 0.4862(2) 0.7208(2) 0.44664(16) 0.047(3) Uani 1 1 d U
C83 C 0.4686(2) 0.7323(3) 0.45568(17) 0.051(3) Uani 1 1 d U
H83A H 0.4665 0.7470 0.4535 0.061 Uiso 1 1 calc R
C84 C 0.4543(3) 0.7225(3) 0.46764(18) 0.054(4) Uani 1 1 d U
H84A H 0.4431 0.7306 0.4739 0.065 Uiso 1 1 calc R
C85 C 0.4565(2) 0.7006(2) 0.47037(17) 0.048(3) Uani 1 1 d U
H85A H 0.4467 0.6939 0.4784 0.058 Uiso 1 1 calc R
C86 C 0.4731(2) 0.6883(2) 0.46133(16) 0.047(3) Uani 1 1 d U
C87 C 0.4891(2) 0.6984(2) 0.44975(16) 0.044(3) Uani 1 1 d U
C88 C 0.4647(3) 0.6560(3) 0.47667(19) 0.062(4) Uani 1 1 d U
H88A H 0.4617 0.6665 0.4853 0.093 Uiso 1 1 calc R
H88B H 0.4752 0.6447 0.4810 0.093 Uiso 1 1 calc R
H88C H 0.4495 0.6497 0.4731 0.093 Uiso 1 1 calc R
C89 C 0.5578(3) 0.7594(3) 0.26643(18) 0.060(4) Uani 1 1 d U
H89A H 0.5493 0.7562 0.2562 0.090 Uiso 1 1 calc R
H89B H 0.5750 0.7566 0.2650 0.090 Uiso 1 1 calc R
H89C H 0.5555 0.7744 0.2693 0.090 Uiso 1 1 calc R
C90 C 0.5230(3) 0.7453(2) 0.28138(17) 0.052(3) Uani 1 1 d U
C91 C 0.5067(3) 0.7581(3) 0.27293(19) 0.058(4) Uani 1 1 d U
H91A H 0.5123 0.7679 0.2650 0.069 Uiso 1 1 calc R
C92 C 0.4817(3) 0.7565(3) 0.27602(19) 0.063(4) Uani 1 1 d U
H92A H 0.4708 0.7656 0.2705 0.075 Uiso 1 1 calc R
C93 C 0.4733(3) 0.7412(3) 0.28728(19) 0.058(4) Uani 1 1 d U
H93A H 0.4566 0.7399 0.2893 0.069 Uiso 1 1 calc R
C94 C 0.4897(2) 0.7276(2) 0.29568(17) 0.049(3) Uani 1 1 d U
C95 C 0.5151(2) 0.7287(2) 0.29266(16) 0.047(3) Uani 1 1 d U
C96 C 0.4792(2) 0.7126(2) 0.30847(16) 0.050(3) Uani 1 1 d U
H96A H 0.4629 0.7150 0.3112 0.060 Uiso 1 1 calc R
C97 C 0.4750(2) 0.6871(2) 0.32980(16) 0.049(3) Uani 1 1 d U
H97A H 0.4767 0.6715 0.3290 0.058 Uiso 1 1 calc R
H97B H 0.4577 0.6906 0.3287 0.058 Uiso 1 1 calc R
C98 C 0.4839(3) 0.6945(2) 0.34664(16) 0.049(3) Uani 1 1 d U
H98A H 0.5015 0.6927 0.3472 0.059 Uiso 1 1 calc R
H98B H 0.4802 0.7098 0.3480 0.059 Uiso 1 1 calc R
C99 C 0.4723(3) 0.6821(2) 0.36051(16) 0.050(3) Uani 1 1 d U
H99A H 0.4781 0.6672 0.3600 0.061 Uiso 1 1 calc R
H99B H 0.4547 0.6819 0.3587 0.061 Uiso 1 1 calc R
C100 C 0.4773(2) 0.6911(2) 0.37811(15) 0.046(3) Uani 1 1 d U
H10C H 0.4949 0.6925 0.3797 0.055 Uiso 1 1 calc R
H10D H 0.4701 0.7054 0.3791 0.055 Uiso 1 1 calc R
C101 C 0.4670(3) 0.6765(3) 0.39193(17) 0.053(3) Uani 1 1 d U
H10E H 0.4496 0.6743 0.3900 0.063 Uiso 1 1 calc R
H10F H 0.4750 0.6624 0.3915 0.063 Uiso 1 1 calc R
C102 C 0.4706(3) 0.6862(2) 0.40914(16) 0.049(3) Uani 1 1 d U
H10G H 0.4875 0.6906 0.4105 0.058 Uiso 1 1 calc R
H10H H 0.4603 0.6989 0.4104 0.058 Uiso 1 1 calc R
C103 C 0.4411(3) 0.6713(2) 0.42730(17) 0.050(3) Uani 1 1 d U
H10I H 0.4315 0.6826 0.4231 0.060 Uiso 1 1 calc R
C104 C 0.4298(2) 0.6564(2) 0.43882(15) 0.041(3) Uani 1 1 d U
C105 C 0.4066(2) 0.6632(2) 0.44509(17) 0.048(3) Uani 1 1 d U
H10J H 0.4003 0.6765 0.4417 0.058 Uiso 1 1 calc R
C106 C 0.3935(3) 0.6507(3) 0.4560(2) 0.061(4) Uani 1 1 d U
H10K H 0.3784 0.6555 0.4600 0.074 Uiso 1 1 calc R
C107 C 0.4031(3) 0.6305(3) 0.46098(19) 0.057(4) Uani 1 1 d U
H10L H 0.3942 0.6217 0.4683 0.068 Uiso 1 1 calc R
C108 C 0.4250(2) 0.6239(2) 0.45522(17) 0.049(3) Uani 1 1 d U
C109 C 0.4392(2) 0.6365(2) 0.44432(17) 0.046(3) Uani 1 1 d U
C110 C 0.4217(3) 0.5899(3) 0.4695(2) 0.064(4) Uani 1 1 d U
H11D H 0.4132 0.5980 0.4781 0.096 Uiso 1 1 calc R
H11E H 0.4322 0.5793 0.4747 0.096 Uiso 1 1 calc R
H11F H 0.4100 0.5827 0.4625 0.096 Uiso 1 1 calc R
C111 C 0.4390(3) 0.7021(3) 0.2625(2) 0.070(4) Uani 1 1 d U
H11G H 0.4513 0.7026 0.2539 0.105 Uiso 1 1 calc R
H11H H 0.4358 0.7165 0.2666 0.105 Uiso 1 1 calc R
H11I H 0.4241 0.6960 0.2580 0.105 Uiso 1 1 calc R
C112 C 0.4322(3) 0.6875(2) 0.29040(18) 0.052(3) Uani 1 1 d U
C113 C 0.4150(3) 0.7028(3) 0.2946(2) 0.060(4) Uani 1 1 d U
H11J H 0.4127 0.7150 0.2879 0.072 Uiso 1 1 calc R
C114 C 0.4008(3) 0.6994(3) 0.3094(2) 0.062(4) Uani 1 1 d U
H11K H 0.3891 0.7096 0.3127 0.074 Uiso 1 1 calc R
C115 C 0.4046(3) 0.6810(3) 0.3187(2) 0.058(4) Uani 1 1 d U
H11L H 0.3951 0.6791 0.3283 0.069 Uiso 1 1 calc R
C116 C 0.4221(2) 0.6648(2) 0.31483(17) 0.048(3) Uani 1 1 d U
C117 C 0.4369(2) 0.6683(2) 0.30009(17) 0.048(3) Uani 1 1 d U
C118 C 0.4249(2) 0.6477(2) 0.32703(17) 0.049(3) Uani 1 1 d U
H11M H 0.4139 0.6479 0.3359 0.058 Uiso 1 1 calc R
C119 C 0.4395(3) 0.6170(2) 0.34165(17) 0.053(3) Uani 1 1 d U
H11N H 0.4381 0.6022 0.3376 0.063 Uiso 1 1 calc R
H11O H 0.4255 0.6202 0.3487 0.063 Uiso 1 1 calc R
C120 C 0.4636(3) 0.6197(3) 0.3518(2) 0.070(4) Uani 1 1 d U
H12C H 0.4643 0.6343 0.3565 0.084 Uiso 1 1 calc R
H12D H 0.4775 0.6179 0.3444 0.084 Uiso 1 1 calc R
C121 C 0.4651(3) 0.6026(3) 0.3666(2) 0.071(4) Uani 1 1 d U
H12E H 0.4610 0.5884 0.3622 0.085 Uiso 1 1 calc R
H12F H 0.4819 0.6020 0.3706 0.085 Uiso 1 1 calc R
C122 C 0.4486(3) 0.6075(3) 0.38092(19) 0.064(4) Uani 1 1 d U
H12G H 0.4317 0.6059 0.3774 0.076 Uiso 1 1 calc R
H12H H 0.4510 0.6225 0.3844 0.076 Uiso 1 1 calc R
C123 C 0.4538(3) 0.5921(3) 0.3961(2) 0.066(4) Uani 1 1 d U
H12I H 0.4530 0.5771 0.3922 0.079 Uiso 1 1 calc R
H12J H 0.4702 0.5947 0.4002 0.079 Uiso 1 1 calc R
C124 C 0.4361(3) 0.5949(3) 0.41015(17) 0.056(4) Uani 1 1 d U
H12K H 0.4362 0.6100 0.4138 0.068 Uiso 1 1 calc R
H12L H 0.4197 0.5914 0.4064 0.068 Uiso 1 1 calc R
C125 C 0.4302(3) 0.5635(2) 0.42677(18) 0.052(3) Uani 1 1 d U
H12M H 0.4166 0.5621 0.4198 0.062 Uiso 1 1 calc R
C126 C 0.4334(2) 0.5455(2) 0.43893(18) 0.051(3) Uani 1 1 d U
C127 C 0.4165(3) 0.5290(3) 0.4378(2) 0.065(4) Uani 1 1 d U
H12N H 0.4037 0.5304 0.4302 0.078 Uiso 1 1 calc R
C128 C 0.4177(3) 0.5109(3) 0.4476(2) 0.074(5) Uani 1 1 d U
H12O H 0.4067 0.4995 0.4460 0.089 Uiso 1 1 calc R
C129 C 0.4359(3) 0.5097(3) 0.4601(2) 0.061(4) Uani 1 1 d U
H12P H 0.4277 0.5078 0.4708 0.074 Uiso 1 1 calc R
H12Q H 0.4453 0.4966 0.4580 0.074 Uiso 1 1 calc R
C130 C 0.4521(3) 0.5263(3) 0.46187(19) 0.057(4) Uani 1 1 d U
C131 C 0.4512(2) 0.5450(3) 0.45144(18) 0.054(4) Uani 1 1 d U
C132 C 0.4695(3) 0.5114(3) 0.48727(19) 0.061(4) Uani 1 1 d U
H13C H 0.4610 0.4986 0.4836 0.091 Uiso 1 1 calc R
H13D H 0.4607 0.5179 0.4964 0.091 Uiso 1 1 calc R
H13E H 0.4857 0.5076 0.4909 0.091 Uiso 1 1 calc R
C133 C 0.8190(5) 0.6260(4) 0.2315(3) 0.122(8) Uani 1 1 d U
H13F H 0.8099 0.6285 0.2214 0.183 Uiso 1 1 calc R
H13G H 0.8335 0.6178 0.2290 0.183 Uiso 1 1 calc R
H13H H 0.8236 0.6397 0.2364 0.183 Uiso 1 1 calc R
C134 C 0.8024(4) 0.6126(3) 0.2446(2) 0.077(5) Uani 1 1 d U
C135 C 0.7128(3) 0.5554(3) 0.2621(2) 0.071(4) Uani 1 1 d U
H13I H 0.7110 0.5433 0.2697 0.107 Uiso 1 1 calc R
H13J H 0.7132 0.5501 0.2508 0.107 Uiso 1 1 calc R
H13K H 0.6992 0.5651 0.2634 0.107 Uiso 1 1 calc R
C136 C 0.7366(3) 0.5673(2) 0.26600(18) 0.056(4) Uani 1 1 d U
C137 C 0.7263(3) 0.6269(3) 0.2650(2) 0.080(5) Uani 1 1 d U
H13M H 0.7313 0.6128 0.2612 0.119 Uiso 1 1 calc R
H13N H 0.7255 0.6366 0.2556 0.119 Uiso 1 1 calc R
H13O H 0.7105 0.6259 0.2702 0.119 Uiso 1 1 calc R
C138 C 0.7449(3) 0.6355(3) 0.27764(19) 0.059(4) Uani 1 1 d U
C139 C 0.7096(3) 0.6203(3) 0.3285(2) 0.063(4) Uani 1 1 d U
H13P H 0.7062 0.6350 0.3318 0.095 Uiso 1 1 calc R
H13Q H 0.7098 0.6112 0.3383 0.095 Uiso 1 1 calc R
H13R H 0.6972 0.6153 0.3209 0.095 Uiso 1 1 calc R
C140 C 0.7341(2) 0.6193(2) 0.32014(17) 0.044(3) Uani 1 1 d U
C141 C 0.7028(3) 0.6727(3) 0.3589(2) 0.075(5) Uani 1 1 d U
H14C H 0.6870 0.6770 0.3629 0.112 Uiso 1 1 calc R
H14D H 0.7151 0.6770 0.3668 0.112 Uiso 1 1 calc R
H14E H 0.7033 0.6572 0.3575 0.112 Uiso 1 1 calc R
C142 C 0.7077(3) 0.6836(3) 0.34223(19) 0.061(4) Uani 1 1 d U
C143 C 0.6701(3) 0.6487(3) 0.2940(3) 0.083(5) Uani 1 1 d U
H14F H 0.6819 0.6371 0.2947 0.124 Uiso 1 1 calc R
H14G H 0.6649 0.6504 0.2825 0.124 Uiso 1 1 calc R
H14H H 0.6561 0.6452 0.3008 0.124 Uiso 1 1 calc R
C144 C 0.6811(3) 0.6686(3) 0.29983(19) 0.055(4) Uani 1 1 d U
C145 C 0.7063(3) 0.7005(3) 0.26567(19) 0.060(4) Uani 1 1 d U
H14I H 0.7208 0.6996 0.2724 0.090 Uiso 1 1 calc R
H14J H 0.7106 0.6992 0.2540 0.090 Uiso 1 1 calc R
H14K H 0.6952 0.6890 0.2687 0.090 Uiso 1 1 calc R
C146 C 0.6944(2) 0.7216(2) 0.26852(15) 0.044(3) Uani 1 1 d U
C147 C 0.6401(3) 0.7934(3) 0.2277(2) 0.077(5) Uani 1 1 d U
H14L H 0.6274 0.7857 0.2219 0.116 Uiso 1 1 calc R
H14M H 0.6536 0.7960 0.2202 0.116 Uiso 1 1 calc R
H14N H 0.6340 0.8071 0.2317 0.116 Uiso 1 1 calc R
C148 C 0.6490(3) 0.7799(3) 0.24253(19) 0.059(4) Uani 1 1 d U
C149 C 0.6292(3) 0.7121(3) 0.2649(2) 0.066(4) Uani 1 1 d U
H14O H 0.6166 0.7015 0.2627 0.099 Uiso 1 1 calc R
H14P H 0.6427 0.7051 0.2705 0.099 Uiso 1 1 calc R
H14Q H 0.6348 0.7182 0.2545 0.099 Uiso 1 1 calc R
C150 C 0.6186(2) 0.7305(2) 0.27639(17) 0.050(3) Uani 1 1 d U
C151 C 0.6300(3) 0.7008(3) 0.3289(2) 0.069(4) Uani 1 1 d U
H15B H 0.6130 0.6974 0.3304 0.103 Uiso 1 1 calc R
H15C H 0.6379 0.7016 0.3397 0.103 Uiso 1 1 calc R
H15D H 0.6376 0.6896 0.3223 0.103 Uiso 1 1 calc R
C152 C 0.6324(2) 0.7220(2) 0.32013(16) 0.045(3) Uani 1 1 d U
C153 C 0.6003(3) 0.6627(3) 0.2926(3) 0.089(6) Uani 1 1 d U
H15E H 0.6139 0.6725 0.2934 0.133 Uiso 1 1 calc R
H15F H 0.5987 0.6576 0.2813 0.133 Uiso 1 1 calc R
H15G H 0.6029 0.6506 0.3000 0.133 Uiso 1 1 calc R
C154 C 0.5775(3) 0.6742(3) 0.2976(2) 0.063(4) Uani 1 1 d U
C155 C 0.5695(3) 0.6948(3) 0.3571(2) 0.070(4) Uani 1 1 d U
H15H H 0.5633 0.6815 0.3617 0.105 Uiso 1 1 calc R
H15I H 0.5650 0.7067 0.3644 0.105 Uiso 1 1 calc R
H15J H 0.5870 0.6940 0.3564 0.105 Uiso 1 1 calc R
C156 C 0.5587(2) 0.6986(2) 0.33976(18) 0.050(3) Uani 1 1 d U
C157 C 0.7089(3) 0.6487(3) 0.41419(19) 0.057(4) Uani 1 1 d U
H15K H 0.7091 0.6337 0.4110 0.085 Uiso 1 1 calc R
H15L H 0.7086 0.6577 0.4043 0.085 Uiso 1 1 calc R
H15M H 0.6946 0.6515 0.4209 0.085 Uiso 1 1 calc R
C158 C 0.7316(2) 0.6538(3) 0.42432(17) 0.052(3) Uani 1 1 d U
C159 C 0.6648(3) 0.7079(3) 0.3863(2) 0.070(4) Uani 1 1 d U
H15N H 0.6514 0.7174 0.3835 0.106 Uiso 1 1 calc R
H15O H 0.6594 0.6931 0.3859 0.106 Uiso 1 1 calc R
H15P H 0.6779 0.7101 0.3785 0.106 Uiso 1 1 calc R
C160 C 0.6738(3) 0.7132(3) 0.4042(2) 0.060(4) Uani 1 1 d U
C161 C 0.6402(3) 0.6676(3) 0.4469(2) 0.071(5) Uani 1 1 d U
H16A H 0.6246 0.6747 0.4464 0.107 Uiso 1 1 calc R
H16B H 0.6424 0.6611 0.4577 0.107 Uiso 1 1 calc R
H16C H 0.6409 0.6565 0.4384 0.107 Uiso 1 1 calc R
C162 C 0.6606(3) 0.6842(2) 0.44380(18) 0.053(3) Uani 1 1 d U
C163 C 0.6039(3) 0.7011(3) 0.4136(2) 0.063(4) Uani 1 1 d U
H16D H 0.6212 0.7018 0.4112 0.095 Uiso 1 1 calc R
H16E H 0.5949 0.7014 0.4032 0.095 Uiso 1 1 calc R
H16F H 0.6003 0.6879 0.4195 0.095 Uiso 1 1 calc R
C164 C 0.5969(3) 0.7200(3) 0.42398(17) 0.053(3) Uani 1 1 d U
C165 C 0.6046(3) 0.7058(3) 0.4763(2) 0.066(4) Uani 1 1 d U
H16G H 0.5875 0.7051 0.4789 0.099 Uiso 1 1 calc R
H16H H 0.6140 0.7047 0.4865 0.099 Uiso 1 1 calc R
H16I H 0.6089 0.6939 0.4690 0.099 Uiso 1 1 calc R
C166 C 0.6104(3) 0.7274(3) 0.46758(19) 0.059(4) Uani 1 1 d U
C167 C 0.5943(5) 0.7740(5) 0.5162(4) 0.137(10) Uani 1 1 d U
H16J H 0.5870 0.7722 0.5271 0.205 Uiso 1 1 calc R
H16K H 0.5938 0.7890 0.5131 0.205 Uiso 1 1 calc R
H16L H 0.6110 0.7691 0.5165 0.205 Uiso 1 1 calc R
C168 C 0.5800(3) 0.7607(3) 0.5035(2) 0.075(5) Uani 1 1 d U
C169 C 0.5323(3) 0.6782(3) 0.4789(2) 0.069(4) Uani 1 1 d U
H16M H 0.5285 0.6751 0.4904 0.103 Uiso 1 1 calc R
H16N H 0.5465 0.6699 0.4756 0.103 Uiso 1 1 calc R
H16O H 0.5187 0.6743 0.4719 0.103 Uiso 1 1 calc R
C170 C 0.5376(3) 0.7018(3) 0.47692(19) 0.057(4) Uani 1 1 d U
C171 C 0.5803(4) 0.6359(3) 0.4476(3) 0.089(6) Uani 1 1 d U
H17B H 0.5718 0.6223 0.4466 0.133 Uiso 1 1 calc R
H17C H 0.5856 0.6379 0.4590 0.133 Uiso 1 1 calc R
H17D H 0.5942 0.6359 0.4403 0.133 Uiso 1 1 calc R
C172 C 0.5629(3) 0.6546(2) 0.44268(19) 0.056(4) Uani 1 1 d U
C173 C 0.5375(3) 0.6555(3) 0.3859(2) 0.070(4) Uani 1 1 d U
H17E H 0.5513 0.6632 0.3813 0.105 Uiso 1 1 calc R
H17F H 0.5237 0.6570 0.3785 0.105 Uiso 1 1 calc R
H17G H 0.5415 0.6404 0.3870 0.105 Uiso 1 1 calc R
C174 C 0.5313(3) 0.6645(2) 0.40246(18) 0.054(4) Uani 1 1 d U
C175 C 0.5334(3) 0.6057(3) 0.4787(2) 0.063(4) Uani 1 1 d U
H17H H 0.5436 0.6184 0.4794 0.095 Uiso 1 1 calc R
H17I H 0.5425 0.5941 0.4736 0.095 Uiso 1 1 calc R
H17J H 0.5283 0.6015 0.4898 0.095 Uiso 1 1 calc R
C176 C 0.5111(2) 0.6107(2) 0.46811(16) 0.047(3) Uani 1 1 d U
C177 C 0.5623(3) 0.5383(3) 0.4810(2) 0.065(4) Uani 1 1 d U
H17K H 0.5631 0.5228 0.4821 0.097 Uiso 1 1 calc R
H17L H 0.5691 0.5450 0.4909 0.097 Uiso 1 1 calc R
H17M H 0.5716 0.5427 0.4714 0.097 Uiso 1 1 calc R
C178 C 0.5357(3) 0.5452(3) 0.47896(19) 0.055(4) Uani 1 1 d U
C179 C 0.4524(4) 0.5902(3) 0.5200(2) 0.087(6) Uani 1 1 d U
H17O H 0.4617 0.6010 0.5260 0.130 Uiso 1 1 calc R
H17P H 0.4479 0.5787 0.5276 0.130 Uiso 1 1 calc R
H17Q H 0.4379 0.5967 0.5154 0.130 Uiso 1 1 calc R
C180 C 0.4680(3) 0.5809(3) 0.5057(2) 0.062(4) Uani 1 1 d U
O73 O 0.4387(2) 0.7812(2) 0.47405(16) 0.091(4) Uani 1 1 d DU
H73 H 0.4487 0.7737 0.4690 0.136 Uiso 1 1 calc R
O74 O 0.4042(2) 0.7478(2) 0.27040(18) 0.092(4) Uani 1 1 d DU
H74 H 0.4024 0.7431 0.2608 0.138 Uiso 1 1 calc R
O75 O 0.7315(3) 0.5736(3) 0.2218(2) 0.120(5) Uani 1 1 d DU
H75 H 0.7322 0.5730 0.2321 0.180 Uiso 1 1 calc R
O76 O 0.5307(3) 0.6927(3) 0.52044(19) 0.110(5) Uani 1 1 d U
H76 H 0.5289 0.7036 0.5147 0.165 Uiso 1 1 calc R
O77 O 0.3747(3) 0.5927(3) 0.4967(2) 0.138(6) Uani 1 1 d DU
H77 H 0.3738 0.5986 0.5059 0.166 Uiso 1 1 calc R
O78 O 0.4544(2) 0.4561(2) 0.47731(15) 0.077(3) Uani 1 1 d U
H78 H 0.4560 0.4568 0.4875 0.115 Uiso 1 1 calc R
O79 O 0.6181(3) 0.7211(3) 0.5217(2) 0.140(6) Uani 1 1 d U
H79 H 0.6150 0.7080 0.5216 0.209 Uiso 1 1 calc R
O80 O 0.5116(4) 0.6190(3) 0.5228(3) 0.153(7) Uani 1 1 d U
H80 H 0.5016 0.6157 0.5300 0.230 Uiso 1 1 calc R
O81 O 0.3741(3) 0.6473(3) 0.3574(2) 0.126(6) Uani 1 1 d U
O82 O 0.3742(4) 0.6077(3) 0.4046(3) 0.147(7) Uani 1 1 d U
O83 O 0.8657(6) 0.6128(5) 0.2055(4) 0.110(9) Uani 0.50 1 d PU
H83 H 0.8515 0.6168 0.2042 0.165 Uiso 0.50 1 calc PR
O84 O 0.4025(10) 0.7169(8) 0.4168(6) 0.20(2) Uani 0.50 1 d PDU
H84 H 0.3884 0.7144 0.4200 0.295 Uiso 0.50 1 calc PR
O85 O 0.8264(10) 0.6358(8) 0.1900(6) 0.085(14) Uani 0.25 1 d PDU
H85 H 0.8377 0.6370 0.1968 0.127 Uiso 0.50 1 calc PR
O86 O 0.7588(5) 0.6457(4) 0.2236(3) 0.090(7) Uani 0.50 1 d PDU
H86 H 0.7658 0.6414 0.2151 0.134 Uiso 0.50 1 calc PR
O87 O 0.3877(7) 0.6239(6) 0.5126(5) 0.141(13) Uani 0.50 1 d PU
O88 O 0.3923(14) 0.7616(12) 0.3119(10) 0.13(2) Uani 0.25 1 d PU
O89 O 0.7753(15) 0.6365(13) 0.1909(10) 0.14(3) Uani 0.25 1 d PU
O90 O 0.3711(8) 0.5694(7) 0.3940(5) 0.155(14) Uani 0.50 1 d PU
H90 H 0.3701 0.5818 0.3977 0.233 Uiso 0.50 1 calc PR
O91 O 0.7283(13) 0.8420(10) 0.4294(9) 0.13(2) Uani 0.25 1 d PDU
H91 H 0.7232 0.8505 0.4365 0.199 Uiso 0.50 1 calc PR
O92 O 0.6970(10) 0.5519(10) 0.2021(8) 0.108(19) Uani 0.25 1 d PDU
H92 H 0.7007 0.5588 0.2106 0.162 Uiso 0.50 1 calc PR
O93 O 0.6091(10) 0.8429(9) 0.2448(7) 0.20(2) Uani 0.50 1 d PU
O94 O 0.8421(7) 0.7625(7) 0.3186(5) 0.158(15) Uani 0.50 1 d PDU
H94 H 0.8466 0.7499 0.3203 0.238 Uiso 0.50 1 calc PR
O95 O 0.4287(9) 0.6533(8) 0.5168(6) 0.181(18) Uani 0.50 1 d PDU
H95 H 0.4192 0.6478 0.5236 0.271 Uiso 0.50 1 calc PR
O96 O 0.8711(8) 0.7844(7) 0.3031(5) 0.155(15) Uani 0.50 1 d PDU
H96 H 0.8782 0.7775 0.2957 0.233 Uiso 0.50 1 calc PR
O97 O 0.8258(13) 0.7458(11) 0.3476(9) 0.13(2) Uani 0.25 1 d PDU
H97 H 0.8323 0.7378 0.3545 0.194 Uiso 0.25 1 calc PR
O98 O 0.5657(13) 0.8330(11) 0.3364(9) 0.13(2) Uani 0.25 1 d PU
O99 O 0.7510(12) 0.8743(10) 0.4444(8) 0.108(19) Uani 0.25 1 d PU
O100 O 0.5690(19) 0.6245(16) 0.5279(13) 0.18(4) Uani 0.25 1 d PU
O101 O 0.436(2) 0.7472(18) 0.3397(14) 0.20(4) Uani 0.25 1 d PU
O102 O 0.4085(19) 0.7091(16) 0.3657(13) 0.18(4) Uani 0.25 1 d PU
O103 O 0.4576(18) 0.7746(16) 0.3989(12) 0.18(3) Uani 0.25 1 d PU
O104 O 0.7321(18) 0.8164(15) 0.3625(12) 0.17(3) Uani 0.25 1 d PU
O105 O 0.644(2) 0.8325(16) 0.3922(13) 0.19(4) Uani 0.25 1 d PU
C181 C 0.4103(4) 0.7720(2) 0.2697(3) 0.105(7) Uani 1 1 d DU
H18B H 0.3955 0.7803 0.2704 0.158 Uiso 1 1 calc R
H18C H 0.4186 0.7752 0.2594 0.158 Uiso 1 1 calc R
H18D H 0.4208 0.7757 0.2790 0.158 Uiso 1 1 calc R
C182 C 0.4531(5) 0.4341(5) 0.4722(4) 0.134(9) Uani 1 1 d U
H18Z H 0.4395 0.4322 0.4648 0.201 Uiso 1 1 calc R
H18E H 0.4510 0.4250 0.4819 0.201 Uiso 1 1 calc R
H182 H 0.4680 0.4302 0.4666 0.201 Uiso 1 1 calc R
C183 C 0.4136(3) 0.7788(4) 0.4660(3) 0.105(7) Uani 1 1 d DU
H18F H 0.4080 0.7927 0.4622 0.157 Uiso 1 1 calc R
H18G H 0.4023 0.7730 0.4740 0.157 Uiso 1 1 calc R
H183 H 0.4148 0.7690 0.4566 0.157 Uiso 1 1 calc R
C184 C 0.5047(6) 0.6400(5) 0.5153(4) 0.139(10) Uani 1 1 d U
H18H H 0.5127 0.6416 0.5046 0.209 Uiso 1 1 calc R
H18I H 0.5097 0.6516 0.5226 0.209 Uiso 1 1 calc R
H184 H 0.4873 0.6405 0.5137 0.209 Uiso 1 1 calc R
C185 C 0.7303(7) 0.5975(4) 0.2163(5) 0.189(15) Uani 1 1 d DU
H18J H 0.7268 0.6065 0.2259 0.283 Uiso 1 1 calc R
H18K H 0.7175 0.5993 0.2081 0.283 Uiso 1 1 calc R
H185 H 0.7457 0.6017 0.2115 0.283 Uiso 1 1 calc R
C186 C 0.6418(5) 0.7249(5) 0.5135(4) 0.132(9) Uani 1 1 d U
H18L H 0.6420 0.7181 0.5027 0.199 Uiso 1 1 calc R
H18M H 0.6547 0.7189 0.5203 0.199 Uiso 1 1 calc R
H186 H 0.6444 0.7402 0.5123 0.199 Uiso 1 1 calc R
C187 C 0.5561(5) 0.6892(5) 0.5235(4) 0.134(9) Uani 1 1 d U
H18N H 0.5590 0.6742 0.5259 0.201 Uiso 1 1 calc R
H18O H 0.5612 0.6979 0.5329 0.201 Uiso 1 1 calc R
H187 H 0.5654 0.6934 0.5137 0.201 Uiso 1 1 calc R
C189 C 0.3867(6) 0.5698(4) 0.4987(5) 0.173(13) Uani 1 1 d DU
H18T H 0.4029 0.5700 0.4939 0.259 Uiso 1 1 calc R
H18R H 0.3769 0.5592 0.4929 0.259 Uiso 1 1 calc R
H18S H 0.3877 0.5661 0.5104 0.259 Uiso 1 1 calc R
C191 C 0.7701(8) 0.6675(5) 0.2292(5) 0.094(12) Uani 0.50 1 d PDU
H19D H 0.7874 0.6657 0.2308 0.141 Uiso 0.50 1 calc PR
H19E H 0.7626 0.6721 0.2395 0.141 Uiso 0.50 1 calc PR
H191 H 0.7673 0.6782 0.2207 0.141 Uiso 0.50 1 calc PR
C192 C 0.4149(9) 0.7327(8) 0.4292(6) 0.118(16) Uani 0.50 1 d PDU
H19F H 0.4144 0.7472 0.4247 0.177 Uiso 0.50 1 calc PR
H19G H 0.4316 0.7284 0.4309 0.177 Uiso 0.50 1 calc PR
H192 H 0.4064 0.7323 0.4398 0.177 Uiso 0.50 1 calc PR
C193 C 0.8318(15) 0.6500(12) 0.1744(8) 0.09(2) Uani 0.25 1 d PDU
H19H H 0.8293 0.6651 0.1772 0.140 Uiso 0.50 1 calc PR
H19I H 0.8209 0.6460 0.1655 0.140 Uiso 0.50 1 calc PR
H193 H 0.8484 0.6478 0.1709 0.140 Uiso 0.50 1 calc PR
C194 C 0.3459(10) 0.5592(9) 0.3934(7) 0.131(18) Uani 0.50 1 d PU
H19J H 0.3455 0.5468 0.4007 0.197 Uiso 0.50 1 calc PR
H19K H 0.3423 0.5547 0.3822 0.197 Uiso 0.50 1 calc PR
H194 H 0.3339 0.5696 0.3971 0.197 Uiso 0.50 1 calc PR
C195 C 0.8756(11) 0.6049(9) 0.1893(7) 0.135(19) Uani 0.50 1 d PU
H19L H 0.8717 0.6152 0.1806 0.202 Uiso 0.50 1 calc PR
H19M H 0.8684 0.5911 0.1866 0.202 Uiso 0.50 1 calc PR
H195 H 0.8930 0.6033 0.1901 0.202 Uiso 0.50 1 calc PR
C196 C 0.7366(16) 0.8207(11) 0.4380(11) 0.10(3) Uani 0.25 1 d PDU
H19X H 0.7327 0.8086 0.4309 0.152 Uiso 0.50 1 calc PR
H19Y H 0.7283 0.8191 0.4485 0.152 Uiso 0.50 1 calc PR
H19Z H 0.7540 0.8212 0.4398 0.152 Uiso 0.50 1 calc PR
C197 C 0.8204(8) 0.7624(7) 0.3062(5) 0.103(14) Uani 0.50 1 d PDU
H19R H 0.8226 0.7737 0.2980 0.155 Uiso 0.50 1 calc PR
H19S H 0.8054 0.7648 0.3123 0.155 Uiso 0.50 1 calc PR
H197 H 0.8196 0.7486 0.3006 0.155 Uiso 0.50 1 calc PR
C198 C 0.7186(12) 0.5526(13) 0.1895(9) 0.09(2) Uani 0.25 1 d PDU
H19P H 0.7135 0.5463 0.1790 0.138 Uiso 0.50 1 calc PR
H19Q H 0.7322 0.5446 0.1939 0.138 Uiso 0.50 1 calc PR
H198 H 0.7234 0.5674 0.1877 0.138 Uiso 0.50 1 calc PR
C199 C 0.8826(17) 0.8074(10) 0.3044(13) 0.26(5) Uani 0.50 1 d PDU
H19N H 0.8807 0.8148 0.2938 0.384 Uiso 0.50 1 calc PR
H19O H 0.8997 0.8062 0.3070 0.384 Uiso 0.50 1 calc PR
H199 H 0.8744 0.8155 0.3131 0.384 Uiso 0.50 1 calc PR
C200 C 0.8104(19) 0.7633(15) 0.3567(14) 0.14(4) Uani 0.25 1 d PDU
H20A H 0.8037 0.7573 0.3669 0.203 Uiso 0.25 1 calc PR
H20B H 0.7972 0.7679 0.3496 0.203 Uiso 0.25 1 calc PR
H200 H 0.8206 0.7755 0.3594 0.203 Uiso 0.25 1 calc PR
C201 C 0.4141(8) 0.6649(7) 0.5029(5) 0.104(14) Uani 0.50 1 d PDU
H20C H 0.4199 0.6603 0.4921 0.156 Uiso 0.50 1 calc PR
H20D H 0.4162 0.6804 0.5039 0.156 Uiso 0.50 1 calc PR
H201 H 0.3970 0.6614 0.5039 0.156 Uiso 0.50 1 calc PR
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'
Yb Yb -0.3850 5.5486 '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'
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
O67 Yb1 O15 86.1(3) . .
O67 Yb1 O65 73.9(3) . .
O15 Yb1 O65 78.3(3) . .
O67 Yb1 O19 118.8(3) . .
O15 Yb1 O19 126.8(3) . .
O65 Yb1 O19 150.2(3) . .
O67 Yb1 O68 140.7(3) . .
O15 Yb1 O68 108.0(3) . .
O65 Yb1 O68 73.5(3) . .
O19 Yb1 O68 82.4(3) . .
O67 Yb1 O50 80.4(3) . 14
O15 Yb1 O50 163.2(3) . 14
O65 Yb1 O50 88.3(3) . 14
O19 Yb1 O50 69.2(3) . 14
O68 Yb1 O50 77.2(3) . 14
O67 Yb1 N10 75.9(3) . .
O15 Yb1 N10 71.4(3) . .
O65 Yb1 N10 138.2(3) . .
O19 Yb1 N10 71.0(3) . .
O68 Yb1 N10 143.1(3) . .
O50 Yb1 N10 114.3(3) 14 .
O67 Yb1 O16 144.3(3) . .
O15 Yb1 O16 62.1(3) . .
O65 Yb1 O16 111.6(3) . .
O19 Yb1 O16 74.8(3) . .
O68 Yb1 O16 69.7(3) . .
O50 Yb1 O16 133.5(3) 14 .
N10 Yb1 O16 78.8(3) . .
O67 Yb1 Cd13 113.7(2) . .
O15 Yb1 Cd13 158.5(2) . .
O65 Yb1 Cd13 114.3(3) . .
O19 Yb1 Cd13 36.7(2) . .
O68 Yb1 Cd13 62.5(2) . .
O50 Yb1 Cd13 38.0(2) 14 .
N10 Yb1 Cd13 103.9(3) . .
O16 Yb1 Cd13 96.5(2) . .
O67 Yb1 Cd14 65.9(2) . .
O15 Yb1 Cd14 32.8(2) . .
O65 Yb1 Cd14 49.3(3) . .
O19 Yb1 Cd14 159.1(2) . .
O68 Yb1 Cd14 106.6(2) . .
O50 Yb1 Cd14 130.7(2) 14 .
N10 Yb1 Cd14 92.0(3) . .
O16 Yb1 Cd14 90.5(2) . .
Cd13 Yb1 Cd14 163.56(3) . .
O46 Yb2 O44 75.7(4) . .
O46 Yb2 O18 85.0(3) . .
O44 Yb2 O18 78.2(3) . .
O46 Yb2 O14 116.5(3) . .
O44 Yb2 O14 149.8(3) . .
O18 Yb2 O14 128.2(3) . .
O46 Yb2 O43 142.2(4) . .
O44 Yb2 O43 74.3(4) . .
O18 Yb2 O43 110.4(3) . .
O14 Yb2 O43 81.6(3) . .
O46 Yb2 O41 79.5(3) . .
O44 Yb2 O41 86.8(3) . .
O18 Yb2 O41 160.7(3) . .
O14 Yb2 O41 69.9(3) . .
O43 Yb2 O41 76.4(3) . .
O46 Yb2 N7 76.5(4) . .
O44 Yb2 N7 140.1(3) . .
O18 Yb2 N7 71.5(3) . .
O14 Yb2 N7 69.4(3) . .
O43 Yb2 N7 140.6(4) . .
O41 Yb2 N7 115.4(3) . .
O46 Yb2 O17 143.3(3) . .
O44 Yb2 O17 109.5(4) . .
O18 Yb2 O17 61.8(3) . .
O14 Yb2 O17 77.9(3) . .
O43 Yb2 O17 69.8(3) . .
O41 Yb2 O17 136.0(3) . .
N7 Yb2 O17 78.2(3) . .
O46 Yb2 Cd12 111.1(2) . .
O44 Yb2 Cd12 114.1(2) . .
O18 Yb2 Cd12 161.3(2) . .
O14 Yb2 Cd12 36.5(2) . .
O43 Yb2 Cd12 62.8(2) . .
O41 Yb2 Cd12 38.0(2) . .
N7 Yb2 Cd12 102.2(2) . .
O17 Yb2 Cd12 99.9(2) . .
O46 Yb2 Cd7 64.2(2) . .
O44 Yb2 Cd7 50.5(2) . .
O18 Yb2 Cd7 32.7(2) . .
O14 Yb2 Cd7 159.3(2) . .
O43 Yb2 Cd7 110.7(2) . .
O41 Yb2 Cd7 128.2(2) . .
N7 Yb2 Cd7 91.6(2) . .
O17 Yb2 Cd7 90.5(2) . .
Cd12 Yb2 Cd7 164.14(3) . .
O53 Yb3 O3 85.6(3) . .
O53 Yb3 O7 118.3(3) . .
O3 Yb3 O7 129.0(3) . .
O53 Yb3 O55 74.3(4) . .
O3 Yb3 O55 79.1(4) . .
O7 Yb3 O55 147.6(4) . .
O53 Yb3 O56 142.2(4) . .
O3 Yb3 O56 106.4(3) . .
O7 Yb3 O56 82.2(3) . .
O55 Yb3 O56 73.2(4) . .
O53 Yb3 O58 80.4(3) . .
O3 Yb3 O58 160.8(3) . .
O7 Yb3 O58 69.8(3) . .
O55 Yb3 O58 84.5(4) . .
O56 Yb3 O58 77.9(3) . .
O53 Yb3 O4 143.2(3) . .
O3 Yb3 O4 62.9(3) . .
O7 Yb3 O4 74.6(3) . .
O55 Yb3 O4 114.4(4) . .
O56 Yb3 O4 69.7(3) . .
O58 Yb3 O4 134.4(3) . .
O53 Yb3 N4 75.8(4) . .
O3 Yb3 N4 73.5(4) . .
O7 Yb3 N4 70.7(4) . .
O55 Yb3 N4 140.5(4) . .
O56 Yb3 N4 141.8(4) . .
O58 Yb3 N4 115.0(4) . .
O4 Yb3 N4 77.3(3) . .
O53 Yb3 Cd8 113.0(2) . .
O3 Yb3 Cd8 160.2(2) . .
O7 Yb3 Cd8 36.8(2) . .
O55 Yb3 Cd8 111.4(3) . .
O56 Yb3 Cd8 63.3(2) . .
O58 Yb3 Cd8 38.1(2) . .
O4 Yb3 Cd8 97.3(2) . .
N4 Yb3 Cd8 103.6(3) . .
O53 Yb3 Cd6 65.6(2) . .
O3 Yb3 Cd6 33.1(2) . .
O7 Yb3 Cd6 161.6(2) . .
O55 Yb3 Cd6 49.7(3) . .
O56 Yb3 Cd6 105.5(2) . .
O58 Yb3 Cd6 127.8(2) . .
O4 Yb3 Cd6 92.1(2) . .
N4 Yb3 Cd6 94.3(3) . .
Cd8 Yb3 Cd6 161.18(4) . .
O6 Yb4 O32 86.4(3) . .
O6 Yb4 O2 127.6(3) . .
O32 Yb4 O2 116.4(3) . .
O6 Yb4 O34 78.2(4) . .
O32 Yb4 O34 75.8(4) . .
O2 Yb4 O34 150.0(4) . .
O6 Yb4 O29 107.5(3) . .
O32 Yb4 O29 142.1(4) . .
O2 Yb4 O29 83.4(3) . .
O34 Yb4 O29 73.0(4) . .
O6 Yb4 O31 160.2(3) . .
O32 Yb4 O31 79.9(3) . .
O2 Yb4 O31 71.8(3) . .
O34 Yb4 O31 84.6(3) . .
O29 Yb4 O31 76.2(3) . .
O6 Yb4 O5 62.5(3) . .
O32 Yb4 O5 143.6(4) . .
O2 Yb4 O5 74.9(3) . .
O34 Yb4 O5 112.5(3) . .
O29 Yb4 O5 70.1(3) . .
O31 Yb4 O5 134.6(3) . .
O6 Yb4 N1 72.9(4) . .
O32 Yb4 N1 75.1(4) . .
O2 Yb4 N1 69.3(4) . .
O34 Yb4 N1 139.8(4) . .
O29 Yb4 N1 142.3(4) . .
O31 Yb4 N1 116.5(4) . .
O5 Yb4 N1 77.9(3) . .
O6 Yb4 Cd10 160.2(2) . .
O32 Yb4 Cd10 111.7(3) . .
O2 Yb4 Cd10 37.7(2) . .
O34 Yb4 Cd10 113.1(3) . .
O29 Yb4 Cd10 63.4(2) . .
O31 Yb4 Cd10 38.8(2) . .
O5 Yb4 Cd10 97.7(2) . .
N1 Yb4 Cd10 103.1(3) . .
O6 Yb4 Cd5 33.0(2) . .
O32 Yb4 Cd5 65.8(3) . .
O2 Yb4 Cd5 159.4(2) . .
O34 Yb4 Cd5 49.8(3) . .
O29 Yb4 Cd5 107.4(2) . .
O31 Yb4 Cd5 127.2(2) . .
O5 Yb4 Cd5 92.0(2) . .
N1 Yb4 Cd5 92.7(3) . .
Cd10 Yb4 Cd5 162.82(3) . .
O35 Cd5 O6 107.1(4) . .
O35 Cd5 N3 168.5(4) . .
O6 Cd5 N3 78.9(4) . .
O35 Cd5 O33 92.9(4) . .
O6 Cd5 O33 96.3(3) . .
N3 Cd5 O33 96.3(4) . .
O35 Cd5 O40 87.5(4) . .
O6 Cd5 O40 161.2(4) . .
N3 Cd5 O40 84.8(4) . .
O33 Cd5 O40 94.7(3) . .
O35 Cd5 O36 82.7(4) . .
O6 Cd5 O36 83.1(3) . .
N3 Cd5 O36 88.4(4) . .
O33 Cd5 O36 175.1(4) . .
O40 Cd5 O36 87.2(3) . .
O35 Cd5 Yb4 84.8(3) . .
O6 Cd5 Yb4 32.9(2) . .
N3 Cd5 Yb4 104.5(3) . .
O33 Cd5 Yb4 73.2(3) . .
O40 Cd5 Yb4 165.3(2) . .
O36 Cd5 Yb4 104.2(2) . .
O54 Cd6 O3 109.4(4) . .
O54 Cd6 O52 91.0(4) . .
O3 Cd6 O52 94.9(3) . .
O54 Cd6 N2 167.6(4) . .
O3 Cd6 N2 79.3(4) . .
O52 Cd6 N2 97.1(4) . .
O54 Cd6 O49 85.9(4) . .
O3 Cd6 O49 162.3(3) . .
O52 Cd6 O49 93.7(3) . .
N2 Cd6 O49 84.2(4) . .
O54 Cd6 O51 83.7(4) . .
O3 Cd6 O51 84.9(3) . .
O52 Cd6 O51 174.3(3) . .
N2 Cd6 O51 88.5(4) . .
O49 Cd6 O51 88.1(3) . .
O54 Cd6 Yb3 85.0(3) . .
O3 Cd6 Yb3 33.4(2) . .
O52 Cd6 Yb3 72.6(2) . .
N2 Cd6 Yb3 106.3(3) . .
O49 Cd6 Yb3 163.4(2) . .
O51 Cd6 Yb3 104.7(2) . .
O45 Cd7 O18 105.8(4) . .
O45 Cd7 O47 92.4(4) . .
O18 Cd7 O47 96.6(3) . .
O45 Cd7 N9 170.2(4) . .
O18 Cd7 N9 78.2(4) . .
O47 Cd7 N9 96.1(4) . .
O45 Cd7 O30 88.8(4) . 14
O18 Cd7 O30 162.6(3) . 14
O47 Cd7 O30 92.2(3) . 14
N9 Cd7 O30 86.0(4) . 14
O45 Cd7 O48 84.5(4) . .
O18 Cd7 O48 86.1(3) . .
O47 Cd7 O48 176.3(4) . .
N9 Cd7 O48 86.9(4) . .
O30 Cd7 O48 85.9(3) 14 .
O45 Cd7 Yb2 83.3(3) . .
O18 Cd7 Yb2 33.5(2) . .
O47 Cd7 Yb2 72.8(2) . .
N9 Cd7 Yb2 103.9(3) . .
O30 Cd7 Yb2 162.6(2) 14 .
O48 Cd7 Yb2 108.6(2) . .
O11 Cd8 N6 83.6(4) . .
O11 Cd8 O57 76.3(3) . .
N6 Cd8 O57 159.8(4) . .
O11 Cd8 O7 149.8(4) . .
N6 Cd8 O7 97.4(4) . .
O57 Cd8 O7 98.9(3) . .
O11 Cd8 O58 135.7(4) . .
N6 Cd8 O58 107.8(4) . .
O57 Cd8 O58 88.4(4) . .
O7 Cd8 O58 72.9(4) . .
O11 Cd8 O8 83.9(4) . .
N6 Cd8 O8 84.5(4) . .
O57 Cd8 O8 91.3(4) . .
O7 Cd8 O8 66.2(3) . .
O58 Cd8 O8 138.5(3) . .
O11 Cd8 Yb3 155.5(3) . .
N6 Cd8 Yb3 120.8(3) . .
O57 Cd8 Yb3 79.4(2) . .
O7 Cd8 Yb3 38.2(3) . .
O58 Cd8 Yb3 40.1(2) . .
O8 Cd8 Yb3 99.2(2) . .
O10 Cd9 O37 144.3(4) . .
O10 Cd9 O42 75.5(3) . .
O37 Cd9 O42 112.6(4) . .
O10 Cd9 O38 101.1(4) . .
O37 Cd9 O38 104.5(4) . .
O42 Cd9 O38 117.9(4) . .
O10 Cd9 O36 93.2(3) . .
O37 Cd9 O36 54.6(3) . .
O42 Cd9 O36 86.1(3) . .
O38 Cd9 O36 154.4(3) . .
O10 Cd9 O9 67.5(3) . .
O37 Cd9 O9 94.8(4) . .
O42 Cd9 O9 142.5(3) . .
O38 Cd9 O9 76.4(4) . .
O36 Cd9 O9 90.0(3) . .
O10 Cd9 O39 127.3(4) . .
O37 Cd9 O39 88.1(4) . .
O42 Cd9 O39 79.1(3) . .
O38 Cd9 O39 53.7(4) . .
O36 Cd9 O39 130.2(3) . .
O9 Cd9 O39 128.8(3) . .
O10 Cd9 C148 116.2(3) . .
O37 Cd9 C148 97.5(3) . .
O42 Cd9 C148 98.4(3) . .
O38 Cd9 C148 27.1(3) . .
O36 Cd9 C148 150.5(3) . .
O9 Cd9 C148 103.0(3) . .
O39 Cd9 C148 26.6(3) . .
O10 Cd9 C146 119.6(3) . .
O37 Cd9 C146 27.6(3) . .
O42 Cd9 C146 98.7(3) . .
O38 Cd9 C146 131.2(3) . .
O36 Cd9 C146 27.1(3) . .
O9 Cd9 C146 94.3(3) . .
O39 Cd9 C146 109.3(3) . .
C148 Cd9 C146 124.1(4) . .
O22 Cd10 N11 84.0(4) 14 14
O22 Cd10 O2 148.5(3) 14 .
N11 Cd10 O2 96.4(4) 14 .
O22 Cd10 O28 76.3(4) 14 .
N11 Cd10 O28 160.1(4) 14 .
O2 Cd10 O28 99.0(4) . .
O22 Cd10 O31 135.5(4) 14 .
N11 Cd10 O31 107.3(4) 14 .
O2 Cd10 O31 74.5(3) . .
O28 Cd10 O31 89.0(3) . .
O22 Cd10 O1 82.4(3) 14 .
N11 Cd10 O1 87.5(4) 14 .
O2 Cd10 O1 66.2(3) . .
O28 Cd10 O1 87.2(3) . .
O31 Cd10 O1 139.4(4) . .
O22 Cd10 Yb4 156.7(2) 14 .
N11 Cd10 Yb4 119.3(3) 14 .
O2 Cd10 Yb4 38.3(2) . .
O28 Cd10 Yb4 80.5(3) . .
O31 Cd10 Yb4 41.2(3) . .
O1 Cd10 Yb4 98.4(2) . .
O22 Cd11 O28 75.3(3) 14 .
O22 Cd11 O27 144.7(4) 14 .
O28 Cd11 O27 117.6(4) . .
O22 Cd11 O25 96.9(4) 14 .
O28 Cd11 O25 110.0(4) . .
O27 Cd11 O25 107.5(4) . .
O22 Cd11 O21 67.1(3) 14 14
O28 Cd11 O21 142.2(3) . 14
O27 Cd11 O21 92.2(4) . 14
O25 Cd11 O21 79.3(4) . 14
O22 Cd11 O48 94.3(3) 14 14
O28 Cd11 O48 88.4(4) . 14
O27 Cd11 O48 55.9(3) . 14
O25 Cd11 O48 160.3(4) . 14
O21 Cd11 O48 90.3(4) 14 14
O22 Cd11 O26 128.5(4) 14 .
O28 Cd11 O26 78.6(4) . .
O27 Cd11 O26 86.9(4) . .
O25 Cd11 O26 52.8(5) . .
O21 Cd11 O26 128.8(4) 14 .
O48 Cd11 O26 128.6(4) 14 .
O22 Cd11 C136 120.7(3) 14 .
O28 Cd11 C136 102.9(3) . .
O27 Cd11 C136 28.1(3) . .
O25 Cd11 C136 135.2(3) . .
O21 Cd11 C136 92.9(3) 14 .
O48 Cd11 C136 27.8(3) 14 .
O26 Cd11 C136 107.9(3) . .
O22 Cd11 C134 112.7(4) 14 .
O28 Cd11 C134 94.2(4) . .
O27 Cd11 C134 99.5(4) . .
O25 Cd11 C134 25.3(4) . .
O21 Cd11 C134 103.7(4) 14 .
O48 Cd11 C134 152.6(4) 14 .
O26 Cd11 C134 27.5(4) . .
C136 Cd11 C134 126.3(5) . .
O10 Cd12 N5 82.5(4) . .
O10 Cd12 O42 76.2(3) . .
N5 Cd12 O42 158.6(4) . .
O10 Cd12 O14 149.1(3) . .
N5 Cd12 O14 98.4(4) . .
O42 Cd12 O14 98.8(3) . .
O10 Cd12 O41 135.9(3) . .
N5 Cd12 O41 109.3(4) . .
O42 Cd12 O41 87.9(4) . .
O14 Cd12 O41 73.1(3) . .
O10 Cd12 O13 82.7(3) . .
N5 Cd12 O13 88.5(4) . .
O42 Cd12 O13 86.7(3) . .
O14 Cd12 O13 66.5(3) . .
O41 Cd12 O13 137.8(3) . .
O10 Cd12 Yb2 156.0(2) . .
N5 Cd12 Yb2 121.5(3) . .
O42 Cd12 Yb2 79.8(2) . .
O14 Cd12 Yb2 37.8(2) . .
O41 Cd12 Yb2 40.3(2) . .
O13 Cd12 Yb2 97.7(2) . .
O23 Cd13 N12 82.7(4) . .
O23 Cd13 O69 75.7(3) . .
N12 Cd13 O69 157.4(4) . .
O23 Cd13 O19 150.1(3) . .
N12 Cd13 O19 95.6(4) . .
O69 Cd13 O19 99.7(3) . .
O23 Cd13 O50 136.6(3) . 14
N12 Cd13 O50 110.4(4) . 14
O69 Cd13 O50 90.1(3) . 14
O19 Cd13 O50 71.9(3) . 14
O23 Cd13 O20 84.5(3) . .
N12 Cd13 O20 83.2(4) . .
O69 Cd13 O20 88.1(3) . .
O19 Cd13 O20 65.7(3) . .
O50 Cd13 O20 136.6(3) 14 .
O23 Cd13 Yb1 156.0(2) . .
N12 Cd13 Yb1 121.3(3) . .
O69 Cd13 Yb1 80.4(2) . .
O19 Cd13 Yb1 37.8(2) . .
O50 Cd13 Yb1 40.0(2) 14 .
O20 Cd13 Yb1 97.2(2) . .
O64 Cd14 O15 109.7(4) . .
O64 Cd14 O66 89.9(4) . .
O15 Cd14 O66 95.1(3) . .
O64 Cd14 N8 169.1(4) . .
O15 Cd14 N8 79.1(4) . .
O66 Cd14 N8 95.9(4) . .
O64 Cd14 O59 87.9(3) . .
O15 Cd14 O59 157.9(3) . .
O66 Cd14 O59 98.3(3) . .
N8 Cd14 O59 82.1(4) . .
O64 Cd14 O63 84.5(4) . .
O15 Cd14 O63 82.7(3) . .
O66 Cd14 O63 172.8(4) . .
N8 Cd14 O63 90.4(4) . .
O59 Cd14 O63 86.0(3) . .
O64 Cd14 Yb1 84.8(3) . .
O15 Cd14 Yb1 33.4(2) . .
O66 Cd14 Yb1 72.7(2) . .
N8 Cd14 Yb1 105.7(3) . .
O59 Cd14 Yb1 168.4(2) . .
O63 Cd14 Yb1 102.3(3) . .
O23 Cd15 O71 98.6(3) . .
O23 Cd15 O69 75.0(3) . .
O71 Cd15 O69 107.1(4) . .
O23 Cd15 O72 142.4(4) . .
O71 Cd15 O72 108.7(4) . .
O69 Cd15 O72 118.7(3) . .
O23 Cd15 O51 93.3(3) . 14
O71 Cd15 O51 163.3(3) . 14
O69 Cd15 O51 87.2(3) . 14
O72 Cd15 O51 55.6(3) . 14
O23 Cd15 O24 67.3(3) . .
O71 Cd15 O24 83.1(4) . .
O69 Cd15 O24 142.0(3) . .
O72 Cd15 O24 90.5(3) . .
O51 Cd15 O24 90.9(3) 14 .
O23 Cd15 O70 133.8(4) . .
O71 Cd15 O70 53.5(4) . .
O69 Cd15 O70 79.7(3) . .
O72 Cd15 O70 83.7(4) . .
O51 Cd15 O70 123.5(4) 14 .
O24 Cd15 O70 130.6(3) . .
O23 Cd15 C178 119.8(3) . .
O71 Cd15 C178 136.3(3) . .
O69 Cd15 C178 102.5(3) . .
O72 Cd15 C178 27.7(3) . .
O51 Cd15 C178 28.1(3) 14 .
O24 Cd15 C178 92.8(3) . .
O70 Cd15 C178 102.9(3) . .
O23 Cd15 C180 117.3(3) . .
O71 Cd15 C180 27.3(3) . .
O69 Cd15 C180 92.1(3) . .
O72 Cd15 C180 97.9(3) . .
O51 Cd15 C180 148.1(3) 14 .
O24 Cd15 C180 108.4(3) . .
O70 Cd15 C180 26.3(3) . .
C178 Cd15 C180 122.8(5) . .
O60 Cd16 O11 98.6(4) . .
O60 Cd16 O57 94.8(4) . .
O11 Cd16 O57 75.1(3) . .
O60 Cd16 O62 113.3(4) . .
O11 Cd16 O62 141.8(4) . .
O57 Cd16 O62 120.0(4) . .
O60 Cd16 O63 167.6(4) . .
O11 Cd16 O63 93.8(4) . .
O57 Cd16 O63 87.8(4) . .
O62 Cd16 O63 55.4(4) . .
O60 Cd16 O12 88.0(4) . .
O11 Cd16 O12 67.5(3) . .
O57 Cd16 O12 142.5(3) . .
O62 Cd16 O12 92.4(4) . .
O63 Cd16 O12 97.3(4) . .
O60 Cd16 C170 140.3(3) . .
O11 Cd16 C170 120.0(3) . .
O57 Cd16 C170 103.4(3) . .
O62 Cd16 C170 27.6(3) . .
O63 Cd16 C170 28.0(3) . .
O12 Cd16 C170 97.8(3) . .
C8 N1 C9 115.6(13) . .
C8 N1 Yb4 126.9(10) . .
C9 N1 Yb4 117.2(9) . .
C15 N2 C14 117.2(12) . .
C15 N2 Cd6 123.8(9) . .
C14 N2 Cd6 118.9(9) . .
C30 N3 C31 115.8(13) . .
C30 N3 Cd5 125.0(10) . .
C31 N3 Cd5 118.8(9) . .
C37 N4 C36 114.7(13) . .
C37 N4 Yb3 127.5(10) . .
C36 N4 Yb3 117.2(10) . .
C52 N5 C53 115.9(14) . .
C52 N5 Cd12 127.0(11) . .
C53 N5 Cd12 117.0(10) . .
C59 N6 C58 116.9(14) . .
C59 N6 Cd8 125.5(10) . .
C58 N6 Cd8 117.5(10) . .
C74 N7 C75 114.6(9) . .
C74 N7 Yb2 124.8(7) . .
C75 N7 Yb2 119.2(6) . .
C81 N8 C80 115.6(9) . .
C81 N8 Cd14 124.6(7) . .
C80 N8 Cd14 119.5(6) . .
C96 N9 C97 118.2(9) . .
C96 N9 Cd7 124.0(7) . .
C97 N9 Cd7 117.5(6) . .
C103 N10 C102 113.3(8) . .
C103 N10 Yb1 125.9(6) . .
C102 N10 Yb1 119.5(6) . .
C118 N11 C119 117.8(8) . .
C118 N11 Cd10 125.3(7) . 14
C119 N11 Cd10 116.7(7) . 14
C118 N11 H11A 121.1 . .
C119 N11 H11A 121.1 . .
Cd10 N11 H11A 6.5 14 .
C125 N12 C124 118.1(9) . .
C125 N12 Cd13 125.0(7) . .
C124 N12 Cd13 116.4(7) . .
C2 O1 C1 118.2(11) . .
C2 O1 Cd10 112.8(8) . .
C1 O1 Cd10 122.3(9) . .
C7 O2 Cd10 119.1(9) . .
C7 O2 Yb4 135.3(9) . .
Cd10 O2 Yb4 104.1(4) . .
C21 O3 Cd6 122.9(8) . .
C21 O3 Yb3 123.4(8) . .
Cd6 O3 Yb3 113.5(4) . .
C20 O4 C22 117.1(11) . .
C20 O4 Yb3 115.2(8) . .
C22 O4 Yb3 126.9(8) . .
C24 O5 C23 117.1(12) . .
C24 O5 Yb4 114.8(8) . .
C23 O5 Yb4 127.1(9) . .
C29 O6 Yb4 123.3(8) . .
C29 O6 Cd5 122.6(9) . .
Yb4 O6 Cd5 114.1(4) . .
C43 O7 Cd8 120.2(9) . .
C43 O7 Yb3 133.6(9) . .
Cd8 O7 Yb3 104.9(4) . .
C42 O8 C44 116.2(13) . .
C42 O8 Cd8 113.2(9) . .
C44 O8 Cd8 124.9(10) . .
C46 O9 C45 116.9(13) . .
C46 O9 Cd9 115.1(8) . .
C45 O9 Cd9 118.9(9) . .
C51 O10 Cd12 132.1(9) . .
C51 O10 Cd9 121.6(8) . .
Cd12 O10 Cd9 105.2(4) . .
C65 O11 Cd8 129.7(6) . .
C65 O11 Cd16 123.7(6) . .
Cd8 O11 Cd16 105.4(4) . .
C64 O12 C66 118.4(9) . .
C64 O12 Cd16 116.8(6) . .
C66 O12 Cd16 121.6(7) . .
C68 O13 C67 115.4(9) . .
C68 O13 Cd12 116.8(6) . .
C67 O13 Cd12 127.0(7) . .
C73 O14 Cd12 121.8(6) . .
C73 O14 Yb2 128.2(6) . .
Cd12 O14 Yb2 105.7(4) . .
C87 O15 Cd14 121.1(6) . .
C87 O15 Yb1 124.7(6) . .
Cd14 O15 Yb1 113.8(4) . .
C86 O16 C88 116.5(9) . .
C86 O16 Yb1 113.8(5) . .
C88 O16 Yb1 129.1(7) . .
C90 O17 C89 115.7(9) . .
C90 O17 Yb2 113.8(6) . .
C89 O17 Yb2 128.4(6) . .
C95 O18 Cd7 123.4(6) . .
C95 O18 Yb2 122.8(6) . .
Cd7 O18 Yb2 113.8(4) . .
C109 O19 Cd13 121.9(6) . .
C109 O19 Yb1 129.5(6) . .
Cd13 O19 Yb1 105.5(3) . .
C108 O20 C110 116.6(8) . .
C108 O20 Cd13 114.9(5) . .
C110 O20 Cd13 125.2(7) . .
C112 O21 C111 116.8(9) . .
C112 O21 Cd11 117.8(6) . 14
C111 O21 Cd11 118.4(7) . 14
C117 O22 Cd10 130.8(6) . 14
C117 O22 Cd11 123.2(6) . 14
Cd10 O22 Cd11 105.7(4) 14 14
C131 O23 Cd13 131.2(6) . .
C131 O23 Cd15 121.3(6) . .
Cd13 O23 Cd15 105.5(4) . .
C130 O24 C132 117.0(9) . .
C130 O24 Cd15 115.2(7) . .
C132 O24 Cd15 119.4(7) . .
C134 O25 Cd11 97.1(9) . .
C134 O26 Cd11 83.9(9) . .
C136 O27 Cd11 94.1(6) . .
C138 O28 Cd11 134.5(7) . .
C138 O28 Cd10 121.4(7) . .
Cd11 O28 Cd10 102.7(4) . .
C138 O29 Yb4 143.5(7) . .
C140 O30 Cd7 133.0(6) . 14
C140 O31 Cd10 103.9(6) . .
C140 O31 Yb4 144.5(6) . .
Cd10 O31 Yb4 100.0(4) . .
C142 O32 Yb4 139.4(7) . .
C142 O33 Cd5 129.3(7) . .
C144 O34 Yb4 164.4(7) . .
C144 O35 Cd5 110.6(7) . .
C146 O36 Cd5 134.7(7) . .
C146 O36 Cd9 90.3(7) . .
Cd5 O36 Cd9 134.9(4) . .
C146 O37 Cd9 97.2(6) . .
C148 O38 Cd9 95.6(8) . .
C148 O39 Cd9 86.1(7) . .
C152 O40 Cd5 129.3(7) . .
C152 O41 Cd12 103.7(6) . .
C152 O41 Yb2 144.5(7) . .
Cd12 O41 Yb2 101.8(3) . .
C150 O42 Cd12 123.4(6) . .
C150 O42 Cd9 133.1(6) . .
Cd12 O42 Cd9 103.1(4) . .
C150 O43 Yb2 142.7(6) . .
C154 O44 Yb2 164.2(8) . .
C154 O45 Cd7 111.8(8) . .
C156 O46 Yb2 143.7(7) . .
C156 O47 Cd7 130.2(6) . .
C136 O48 Cd11 89.6(7) 14 14
C136 O48 Cd7 134.5(7) 14 .
Cd11 O48 Cd7 135.9(4) 14 .
C158 O49 Cd6 132.6(6) . .
C158 O50 Cd13 102.2(7) . 14
C158 O50 Yb1 143.8(7) . 14
Cd13 O50 Yb1 101.9(3) 14 14
C178 O51 Cd6 134.8(7) 14 .
C178 O51 Cd15 89.7(7) 14 14
Cd6 O51 Cd15 135.5(4) . 14
C160 O52 Cd6 130.7(7) . .
C160 O53 Yb3 141.3(8) . .
C162 O54 Cd6 108.5(7) . .
C162 O55 Yb3 164.8(8) . .
C166 O56 Yb3 139.7(7) . .
C166 O57 Cd8 122.1(7) . .
C166 O57 Cd16 133.3(7) . .
Cd8 O57 Cd16 103.2(4) . .
C164 O58 Cd8 104.2(6) . .
C164 O58 Yb3 143.9(7) . .
Cd8 O58 Yb3 101.8(4) . .
C164 O59 Cd14 133.1(7) . .
C168 O60 Cd16 101.6(9) . .
C170 O62 Cd16 94.7(7) . .
C170 O63 Cd16 90.5(7) . .
C170 O63 Cd14 133.8(7) . .
Cd16 O63 Cd14 135.6(5) . .
C172 O64 Cd14 109.3(7) . .
C172 O65 Yb1 167.5(7) . .
C174 O66 Cd14 131.4(6) . .
C174 O67 Yb1 141.5(7) . .
C176 O68 Yb1 144.4(6) . .
C176 O69 Cd13 122.0(6) . .
C176 O69 Cd15 133.2(6) . .
Cd13 O69 Cd15 103.8(4) . .
C180 O70 Cd15 85.4(8) . .
C180 O71 Cd15 96.8(7) . .
C178 O72 Cd15 94.3(7) . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 123.6(14) . .
O1 C2 C7 114.5(12) . .
C3 C2 C7 122.0(15) . .
C2 C3 C4 120.4(15) . .
C2 C3 H3A 119.8 . .
C4 C3 H3A 119.8 . .
C3 C4 C5 118.5(15) . .
C3 C4 H4A 120.7 . .
C5 C4 H4A 120.7 . .
C4 C5 C6 120.8(16) . .
C4 C5 H5A 119.6 . .
C6 C5 H5A 119.6 . .
C7 C6 C5 120.8(14) . .
C7 C6 C8 123.1(13) . .
C5 C6 C8 116.0(14) . .
O2 C7 C6 122.7(14) . .
O2 C7 C2 119.9(14) . .
C6 C7 C2 117.4(13) . .
N1 C8 C6 128.2(15) . .
N1 C8 H8A 115.9 . .
C6 C8 H8A 115.9 . .
N1 C9 C10 109.7(13) . .
N1 C9 H9A 109.7 . .
C10 C9 H9A 109.7 . .
N1 C9 H9B 109.7 . .
C10 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
C11 C10 C9 115.2(14) . .
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 . .
C10 C11 C12 112.2(13) . .
C10 C11 H11B 109.2 . .
C12 C11 H11B 109.2 . .
C10 C11 H11C 109.2 . .
C12 C11 H11C 109.2 . .
H11B C11 H11C 107.9 . .
C13 C12 C11 114.3(13) . .
C13 C12 H12A 108.7 . .
C11 C12 H12A 108.7 . .
C13 C12 H12B 108.7 . .
C11 C12 H12B 108.7 . .
H12A C12 H12B 107.6 . .
C12 C13 C14 113.7(13) . .
C12 C13 H13A 108.8 . .
C14 C13 H13A 108.8 . .
C12 C13 H13B 108.8 . .
C14 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
N2 C14 C13 110.3(11) . .
N2 C14 H14A 109.6 . .
C13 C14 H14A 109.6 . .
N2 C14 H14B 109.6 . .
C13 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
N2 C15 C16 129.6(13) . .
N2 C15 H15A 115.2 . .
C16 C15 H15A 115.2 . .
C17 C16 C21 118.7(13) . .
C17 C16 C15 117.7(13) . .
C21 C16 C15 123.4(13) . .
C18 C17 C16 122.0(14) . .
C18 C17 H17A 119.0 . .
C16 C17 H17A 119.0 . .
C17 C18 C19 119.8(15) . .
C17 C18 H18A 120.1 . .
C19 C18 H18A 120.1 . .
C18 C19 C20 119.6(15) . .
C18 C19 H19A 120.2 . .
C20 C19 H19A 120.2 . .
O4 C20 C19 125.3(13) . .
O4 C20 C21 113.2(12) . .
C19 C20 C21 121.4(14) . .
O3 C21 C16 125.5(12) . .
O3 C21 C20 116.0(12) . .
C16 C21 C20 118.4(13) . .
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 125.9(14) . .
C25 C24 C29 121.0(16) . .
O5 C24 C29 113.1(13) . .
C26 C25 C24 121.1(17) . .
C26 C25 H25A 119.4 . .
C24 C25 H25A 119.4 . .
C25 C26 C27 120.4(17) . .
C25 C26 H26A 119.8 . .
C27 C26 H26A 119.8 . .
C26 C27 C28 119.6(16) . .
C26 C27 H27A 107.4 . .
C28 C27 H27A 107.4 . .
C26 C27 H27B 107.4 . .
C28 C27 H27B 107.4 . .
H27A C27 H27B 107.0 . .
C29 C28 C27 118.6(14) . .
C29 C28 C30 125.1(14) . .
C27 C28 C30 115.9(14) . .
O6 C29 C24 116.2(14) . .
O6 C29 C28 124.9(13) . .
C24 C29 C28 118.9(14) . .
N3 C30 C28 126.9(15) . .
N3 C30 H30A 116.6 . .
C28 C30 H30A 116.6 . .
N3 C31 C32 109.6(12) . .
N3 C31 H31A 109.7 . .
C32 C31 H31A 109.7 . .
N3 C31 H31B 109.7 . .
C32 C31 H31B 109.7 . .
H31A C31 H31B 108.2 . .
C31 C32 C33 110.1(13) . .
C31 C32 H32A 109.6 . .
C33 C32 H32A 109.6 . .
C31 C32 H32B 109.6 . .
C33 C32 H32B 109.6 . .
H32A C32 H32B 108.2 . .
C32 C33 C34 112.5(14) . .
C32 C33 H33A 109.1 . .
C34 C33 H33A 109.1 . .
C32 C33 H33B 109.1 . .
C34 C33 H33B 109.1 . .
H33A C33 H33B 107.8 . .
C35 C34 C33 109.8(13) . .
C35 C34 H34A 109.7 . .
C33 C34 H34A 109.7 . .
C35 C34 H34B 109.7 . .
C33 C34 H34B 109.7 . .
H34A C34 H34B 108.2 . .
C34 C35 C36 114.5(13) . .
C34 C35 H35A 108.6 . .
C36 C35 H35A 108.6 . .
C34 C35 H35B 108.6 . .
C36 C35 H35B 108.6 . .
H35A C35 H35B 107.6 . .
N4 C36 C35 109.4(12) . .
N4 C36 H36A 109.8 . .
C35 C36 H36A 109.8 . .
N4 C36 H36B 109.8 . .
C35 C36 H36B 109.8 . .
H36A C36 H36B 108.2 . .
N4 C37 C38 128.9(15) . .
N4 C37 H37A 115.5 . .
C38 C37 H37A 115.5 . .
C39 C38 C43 120.5(15) . .
C39 C38 C37 118.4(15) . .
C43 C38 C37 121.1(15) . .
C38 C39 C40 123.3(18) . .
C38 C39 H39A 106.5 . .
C40 C39 H39A 106.5 . .
C38 C39 H39B 106.5 . .
C40 C39 H39B 106.5 . .
H39A C39 H39B 106.5 . .
C39 C40 C41 117.7(19) . .
C39 C40 H40A 121.2 . .
C41 C40 H40A 121.2 . .
C42 C41 C40 121.3(18) . .
C42 C41 H41A 119.4 . .
C40 C41 H41A 119.4 . .
C41 C42 O8 125.0(15) . .
C41 C42 C43 124.0(17) . .
O8 C42 C43 111.0(14) . .
O7 C43 C42 122.4(14) . .
O7 C43 C38 124.3(14) . .
C42 C43 C38 113.3(14) . .
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 . .
O9 C46 C47 125.3(16) . .
O9 C46 C51 113.4(13) . .
C47 C46 C51 121.3(17) . .
C48 C47 C46 120(2) . .
C48 C47 H47A 119.8 . .
C46 C47 H47A 119.8 . .
C47 C48 C49 121(2) . .
C47 C48 H48B 119.4 . .
C49 C48 H48B 119.4 . .
C48 C49 C50 122(2) . .
C48 C49 H49A 119.1 . .
C50 C49 H49A 119.1 . .
C49 C50 C51 117.3(17) . .
C49 C50 C52 116.4(17) . .
C51 C50 C52 126.2(15) . .
O10 C51 C50 122.6(13) . .
O10 C51 C46 119.6(14) . .
C50 C51 C46 117.7(14) . .
N5 C52 C50 128.8(16) . .
N5 C52 H52A 115.6 . .
C50 C52 H52A 115.6 . .
N5 C53 C54 108.3(14) . .
N5 C53 H53A 110.0 . .
C54 C53 H53A 110.0 . .
N5 C53 H53B 110.0 . .
C54 C53 H53B 110.0 . .
H53A C53 H53B 108.4 . .
C55 C54 C53 114.0(17) . .
C55 C54 H54A 108.8 . .
C53 C54 H54A 108.8 . .
C55 C54 H54B 108.8 . .
C53 C54 H54B 108.8 . .
H54A C54 H54B 107.7 . .
C56 C55 C54 117(2) . .
C56 C55 H55A 108.0 . .
C54 C55 H55A 108.0 . .
C56 C55 H55B 108.0 . .
C54 C55 H55B 108.0 . .
H55A C55 H55B 107.2 . .
C55 C56 C57 114.1(18) . .
C55 C56 H56A 108.7 . .
C57 C56 H56A 108.7 . .
C55 C56 H56B 108.7 . .
C57 C56 H56B 108.7 . .
H56A C56 H56B 107.6 . .
C58 C57 C56 114.5(17) . .
C58 C57 H57A 108.6 . .
C56 C57 H57A 108.6 . .
C58 C57 H57B 108.6 . .
C56 C57 H57B 108.6 . .
H57A C57 H57B 107.6 . .
C57 C58 N6 113.5(15) . .
C57 C58 H58A 108.9 . .
N6 C58 H58A 108.9 . .
C57 C58 H58B 108.9 . .
N6 C58 H58B 108.9 . .
H58A C58 H58B 107.7 . .
N6 C59 C60 129.8(13) . .
N6 C59 H59A 115.1 . .
C60 C59 H59A 115.1 . .
C65 C60 C61 118.6(14) . .
C65 C60 C59 125.4(12) . .
C61 C60 C59 115.6(13) . .
C62 C61 C60 120.8(16) . .
C62 C61 H61A 119.6 . .
C60 C61 H61A 119.6 . .
C63 C62 C61 122.5(17) . .
C63 C62 H62A 118.7 . .
C61 C62 H62A 118.7 . .
C62 C63 C64 117.9(16) . .
C62 C63 H63A 121.0 . .
C64 C63 H63A 121.0 . .
C63 C64 O12 123.5(13) . .
C63 C64 C65 122.8(15) . .
O12 C64 C65 113.7(12) . .
O11 C65 C60 125.1(12) . .
O11 C65 C64 117.8(13) . .
C60 C65 C64 117.1(14) . .
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 . .
C69 C68 O13 126.9(12) . .
C69 C68 C73 122.1(14) . .
O13 C68 C73 111.0(11) . .
C68 C69 C70 121.2(15) . .
C68 C69 H69A 107.0 . .
C70 C69 H69A 107.0 . .
C68 C69 H69B 107.0 . .
C70 C69 H69B 107.0 . .
H69A C69 H69B 106.8 . .
C71 C70 C69 117.6(17) . .
C71 C70 H70A 121.2 . .
C69 C70 H70A 121.2 . .
C70 C71 C72 123.4(17) . .
C70 C71 H71A 118.3 . .
C72 C71 H71A 118.3 . .
C71 C72 C73 120.2(14) . .
C71 C72 C74 117.6(14) . .
C73 C72 C74 122.2(14) . .
O14 C73 C72 123.7(13) . .
O14 C73 C68 121.0(12) . .
C72 C73 C68 115.3(14) . .
N7 C74 C72 127.0(13) . .
N7 C74 H74A 116.5 . .
C72 C74 H74A 116.5 . .
N7 C75 C76 108.8(10) . .
N7 C75 H75A 109.9 . .
C76 C75 H75A 109.9 . .
N7 C75 H75B 109.9 . .
C76 C75 H75B 109.9 . .
H75A C75 H75B 108.3 . .
C75 C76 C77 111.9(11) . .
C75 C76 H76A 109.2 . .
C77 C76 H76A 109.2 . .
C75 C76 H76B 109.2 . .
C77 C76 H76B 109.2 . .
H76A C76 H76B 107.9 . .
C78 C77 C76 111.4(11) . .
C78 C77 H77A 109.4 . .
C76 C77 H77A 109.4 . .
C78 C77 H77B 109.4 . .
C76 C77 H77B 109.4 . .
H77A C77 H77B 108.0 . .
C79 C78 C77 114.9(12) . .
C79 C78 H78A 108.5 . .
C77 C78 H78A 108.5 . .
C79 C78 H78B 108.5 . .
C77 C78 H78B 108.5 . .
H78A C78 H78B 107.5 . .
C78 C79 C80 113.7(12) . .
C78 C79 H79A 108.8 . .
C80 C79 H79A 108.8 . .
C78 C79 H79B 108.8 . .
C80 C79 H79B 108.8 . .
H79A C79 H79B 107.7 . .
N8 C80 C79 111.5(10) . .
N8 C80 H80A 109.3 . .
C79 C80 H80A 109.3 . .
N8 C80 H80B 109.3 . .
C79 C80 H80B 109.3 . .
H80A C80 H80B 108.0 . .
N8 C81 C82 126.9(13) . .
N8 C81 H81A 116.5 . .
C82 C81 H81A 116.5 . .
C83 C82 C87 118.9(13) . .
C83 C82 C81 116.6(13) . .
C87 C82 C81 124.5(12) . .
C84 C83 C82 121.8(15) . .
C84 C83 H83A 119.1 . .
C82 C83 H83A 119.1 . .
C85 C84 C83 119.5(14) . .
C85 C84 H84A 120.2 . .
C83 C84 H84A 120.2 . .
C84 C85 C86 120.9(13) . .
C84 C85 H85A 119.6 . .
C86 C85 H85A 119.6 . .
O16 C86 C85 125.7(12) . .
O16 C86 C87 114.2(11) . .
C85 C86 C87 120.1(13) . .
O15 C87 C82 124.9(11) . .
O15 C87 C86 116.4(12) . .
C82 C87 C86 118.6(12) . .
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 . .
C91 C90 O17 126.6(12) . .
C91 C90 C95 121.6(14) . .
O17 C90 C95 111.8(11) . .
C90 C91 C92 120.9(14) . .
C90 C91 H91A 119.5 . .
C92 C91 H91A 119.5 . .
C93 C92 C91 119.3(15) . .
C93 C92 H92A 120.3 . .
C91 C92 H92A 120.3 . .
C92 C93 C94 120.6(14) . .
C92 C93 H93A 119.7 . .
C94 C93 H93A 119.7 . .
C93 C94 C95 121.4(14) . .
C93 C94 C96 117.1(12) . .
C95 C94 C96 121.4(13) . .
O18 C95 C94 125.9(12) . .
O18 C95 C90 117.9(11) . .
C94 C95 C90 115.9(13) . .
N9 C96 C94 129.9(12) . .
N9 C96 H96A 115.1 . .
C94 C96 H96A 115.1 . .
N9 C97 C98 111.9(10) . .
N9 C97 H97A 109.2 . .
C98 C97 H97A 109.2 . .
N9 C97 H97B 109.2 . .
C98 C97 H97B 109.2 . .
H97A C97 H97B 107.9 . .
C99 C98 C97 111.9(11) . .
C99 C98 H98A 109.2 . .
C97 C98 H98A 109.2 . .
C99 C98 H98B 109.2 . .
C97 C98 H98B 109.2 . .
H98A C98 H98B 107.9 . .
C98 C99 C100 114.8(11) . .
C98 C99 H99A 108.6 . .
C100 C99 H99A 108.6 . .
C98 C99 H99B 108.6 . .
C100 C99 H99B 108.6 . .
H99A C99 H99B 107.5 . .
C101 C100 C99 112.5(11) . .
C101 C100 H10C 109.1 . .
C99 C100 H10C 109.1 . .
C101 C100 H10D 109.1 . .
C99 C100 H10D 109.1 . .
H10C C100 H10D 107.8 . .
C102 C101 C100 112.1(12) . .
C102 C101 H10E 109.2 . .
C100 C101 H10E 109.2 . .
C102 C101 H10F 109.2 . .
C100 C101 H10F 109.2 . .
H10E C101 H10F 107.9 . .
N10 C102 C101 110.1(11) . .
N10 C102 H10G 109.6 . .
C101 C102 H10G 109.6 . .
N10 C102 H10H 109.6 . .
C101 C102 H10H 109.6 . .
H10G C102 H10H 108.2 . .
N10 C103 C104 124.4(12) . .
N10 C103 H10I 117.8 . .
C104 C103 H10I 117.8 . .
C109 C104 C105 118.4(12) . .
C109 C104 C103 127.0(12) . .
C105 C104 C103 114.7(12) . .
C106 C105 C104 121.8(13) . .
C106 C105 H10J 119.1 . .
C104 C105 H10J 119.1 . .
C105 C106 C107 118.8(14) . .
C105 C106 H10K 120.6 . .
C107 C106 H10K 120.6 . .
C108 C107 C106 120.1(14) . .
C108 C107 H10L 119.9 . .
C106 C107 H10L 119.9 . .
C107 C108 O20 123.8(12) . .
C107 C108 C109 122.4(14) . .
O20 C108 C109 113.8(11) . .
O19 C109 C104 122.2(11) . .
O19 C109 C108 119.4(11) . .
C104 C109 C108 118.4(12) . .
O20 C110 H11D 109.5 . .
O20 C110 H11E 109.5 . .
H11D C110 H11E 109.5 . .
O20 C110 H11F 109.5 . .
H11D C110 H11F 109.5 . .
H11E C110 H11F 109.5 . .
O21 C111 H11G 109.5 . .
O21 C111 H11H 109.5 . .
H11G C111 H11H 109.5 . .
O21 C111 H11I 109.5 . .
H11G C111 H11I 109.5 . .
H11H C111 H11I 109.5 . .
C113 C112 O21 124.0(13) . .
C113 C112 C117 124.1(14) . .
O21 C112 C117 111.9(12) . .
C112 C113 C114 118.3(15) . .
C112 C113 H11J 120.9 . .
C114 C113 H11J 120.9 . .
C115 C114 C113 118.9(15) . .
C115 C114 H11K 120.5 . .
C113 C114 H11K 120.5 . .
C114 C115 C116 124.6(15) . .
C114 C115 H11L 117.7 . .
C116 C115 H11L 117.7 . .
C115 C116 C117 116.8(13) . .
C115 C116 C118 116.1(13) . .
C117 C116 C118 126.8(13) . .
O22 C117 C112 118.9(12) . .
O22 C117 C116 123.9(12) . .
C112 C117 C116 117.3(13) . .
N11 C118 C116 128.7(12) . .
N11 C118 H11M 115.6 . .
C116 C118 H11M 115.6 . .
N11 C119 C120 108.1(11) . .
N11 C119 H11N 110.1 . .
C120 C119 H11N 110.1 . .
N11 C119 H11O 110.1 . .
C120 C119 H11O 110.1 . .
H11N C119 H11O 108.4 . .
C119 C120 C121 111.3(14) . .
C119 C120 H12C 109.4 . .
C121 C120 H12C 109.4 . .
C119 C120 H12D 109.4 . .
C121 C120 H12D 109.4 . .
H12C C120 H12D 108.0 . .
C122 C121 C120 113.8(15) . .
C122 C121 H12E 108.8 . .
C120 C121 H12E 108.8 . .
C122 C121 H12F 108.8 . .
C120 C121 H12F 108.8 . .
H12E C121 H12F 107.7 . .
C121 C122 C123 111.2(13) . .
C121 C122 H12G 109.4 . .
C123 C122 H12G 109.4 . .
C121 C122 H12H 109.4 . .
C123 C122 H12H 109.4 . .
H12G C122 H12H 108.0 . .
C124 C123 C122 113.2(13) . .
C124 C123 H12I 108.9 . .
C122 C123 H12I 108.9 . .
C124 C123 H12J 108.9 . .
C122 C123 H12J 108.9 . .
H12I C123 H12J 107.7 . .
N12 C124 C123 109.9(11) . .
N12 C124 H12K 109.7 . .
C123 C124 H12K 109.7 . .
N12 C124 H12L 109.7 . .
C123 C124 H12L 109.7 . .
H12K C124 H12L 108.2 . .
N12 C125 C126 130.8(12) . .
N12 C125 H12M 114.6 . .
C126 C125 H12M 114.6 . .
C127 C126 C131 119.9(15) . .
C127 C126 C125 115.4(13) . .
C131 C126 C125 124.7(13) . .
C128 C127 C126 122.2(16) . .
C128 C127 H12N 118.9 . .
C126 C127 H12N 118.9 . .
C127 C128 C129 118.8(17) . .
C127 C128 H12O 120.6 . .
C129 C128 H12O 120.6 . .
C130 C129 C128 119.5(15) . .
C130 C129 H12P 107.4 . .
C128 C129 H12P 107.4 . .
C130 C129 H12Q 107.4 . .
C128 C129 H12Q 107.4 . .
H12P C129 H12Q 107.0 . .
C129 C130 O24 124.3(13) . .
C129 C130 C131 121.7(15) . .
O24 C130 C131 114.0(12) . .
O23 C131 C126 124.4(13) . .
O23 C131 C130 118.0(12) . .
C126 C131 C130 117.6(14) . .
O24 C132 H13C 109.5 . .
O24 C132 H13D 109.5 . .
H13C C132 H13D 109.5 . .
O24 C132 H13E 109.5 . .
H13C C132 H13E 109.5 . .
H13D C132 H13E 109.5 . .
C134 C133 H13F 109.5 . .
C134 C133 H13G 109.5 . .
H13F C133 H13G 109.5 . .
C134 C133 H13H 109.5 . .
H13F C133 H13H 109.5 . .
H13G C133 H13H 109.5 . .
O25 C134 O26 125.9(16) . .
O25 C134 C133 119.5(18) . .
O26 C134 C133 114.6(17) . .
O25 C134 Cd11 57.5(8) . .
O26 C134 Cd11 68.6(8) . .
C133 C134 Cd11 173.3(15) . .
C136 C135 H13I 109.5 . .
C136 C135 H13J 109.5 . .
H13I C135 H13J 109.5 . .
C136 C135 H13K 109.5 . .
H13I C135 H13K 109.5 . .
H13J C135 H13K 109.5 . .
O48 C136 O27 120.0(12) 14 .
O48 C136 C135 122.3(13) 14 .
O27 C136 C135 117.7(12) . .
O48 C136 Cd11 62.5(6) 14 .
O27 C136 Cd11 57.7(6) . .
C135 C136 Cd11 172.7(11) . .
C138 C137 H13M 109.5 . .
C138 C137 H13N 109.5 . .
H13M C137 H13N 109.5 . .
C138 C137 H13O 109.5 . .
H13M C137 H13O 109.5 . .
H13N C137 H13O 109.5 . .
O28 C138 O29 124.2(12) . .
O28 C138 C137 116.4(14) . .
O29 C138 C137 119.3(14) . .
C140 C139 H13P 109.5 . .
C140 C139 H13Q 109.5 . .
H13P C139 H13Q 109.5 . .
C140 C139 H13R 109.5 . .
H13P C139 H13R 109.5 . .
H13Q C139 H13R 109.5 . .
O30 C140 O31 120.7(10) . .
O30 C140 C139 120.4(12) . .
O31 C140 C139 118.8(12) . .
C142 C141 H14C 109.5 . .
C142 C141 H14D 109.5 . .
H14C C141 H14D 109.5 . .
C142 C141 H14E 109.5 . .
H14C C141 H14E 109.5 . .
H14D C141 H14E 109.5 . .
O33 C142 O32 127.8(13) . .
O33 C142 C141 118.3(13) . .
O32 C142 C141 113.9(13) . .
C144 C143 H14F 109.5 . .
C144 C143 H14G 109.5 . .
H14F C143 H14G 109.5 . .
C144 C143 H14H 109.5 . .
H14F C143 H14H 109.5 . .
H14G C143 H14H 109.5 . .
O35 C144 O34 123.5(12) . .
O35 C144 C143 118.9(13) . .
O34 C144 C143 117.6(14) . .
C146 C145 H14I 109.5 . .
C146 C145 H14J 109.5 . .
H14I C145 H14J 109.5 . .
C146 C145 H14K 109.5 . .
H14I C145 H14K 109.5 . .
H14J C145 H14K 109.5 . .
O36 C146 O37 117.6(11) . .
O36 C146 C145 123.4(12) . .
O37 C146 C145 119.0(11) . .
O36 C146 Cd9 62.6(6) . .
O37 C146 Cd9 55.2(5) . .
C145 C146 Cd9 171.6(10) . .
C148 C147 H14L 109.5 . .
C148 C147 H14M 109.5 . .
H14L C147 H14M 109.5 . .
C148 C147 H14N 109.5 . .
H14L C147 H14N 109.5 . .
H14M C147 H14N 109.5 . .
O39 C148 O38 124.6(13) . .
O39 C148 C147 118.8(14) . .
O38 C148 C147 116.5(14) . .
O39 C148 Cd9 67.4(7) . .
O38 C148 Cd9 57.3(6) . .
C147 C148 Cd9 173.8(13) . .
C150 C149 H14O 109.5 . .
C150 C149 H14P 109.5 . .
H14O C149 H14P 109.5 . .
C150 C149 H14Q 109.5 . .
H14O C149 H14Q 109.5 . .
H14P C149 H14Q 109.5 . .
O42 C150 O43 124.3(11) . .
O42 C150 C149 119.3(11) . .
O43 C150 C149 116.3(12) . .
C152 C151 H15B 109.5 . .
C152 C151 H15C 109.5 . .
H15B C151 H15C 109.5 . .
C152 C151 H15D 109.5 . .
H15B C151 H15D 109.5 . .
H15C C151 H15D 109.5 . .
O40 C152 O41 118.1(11) . .
O40 C152 C151 123.9(12) . .
O41 C152 C151 117.9(11) . .
C154 C153 H15E 109.5 . .
C154 C153 H15F 109.5 . .
H15E C153 H15F 109.5 . .
C154 C153 H15G 109.5 . .
H15E C153 H15G 109.5 . .
H15F C153 H15G 109.5 . .
O44 C154 O45 124.3(13) . .
O44 C154 C153 119.3(14) . .
O45 C154 C153 116.5(15) . .
C156 C155 H15H 109.5 . .
C156 C155 H15I 109.5 . .
H15H C155 H15I 109.5 . .
C156 C155 H15J 109.5 . .
H15H C155 H15J 109.5 . .
H15I C155 H15J 109.5 . .
O47 C156 O46 125.7(11) . .
O47 C156 C155 117.4(12) . .
O46 C156 C155 116.8(12) . .
C158 C157 H15K 109.5 . .
C158 C157 H15L 109.5 . .
H15K C157 H15L 109.5 . .
C158 C157 H15M 109.5 . .
H15K C157 H15M 109.5 . .
H15L C157 H15M 109.5 . .
O49 C158 O50 120.4(11) . .
O49 C158 C157 121.3(12) . .
O50 C158 C157 118.4(13) . .
C160 C159 H15N 109.5 . .
C160 C159 H15O 109.5 . .
H15N C159 H15O 109.5 . .
C160 C159 H15P 109.5 . .
H15N C159 H15P 109.5 . .
H15O C159 H15P 109.5 . .
O53 C160 O52 126.2(13) . .
O53 C160 C159 115.9(13) . .
O52 C160 C159 117.8(13) . .
C162 C161 H16A 109.5 . .
C162 C161 H16B 109.5 . .
H16A C161 H16B 109.5 . .
C162 C161 H16C 109.5 . .
H16A C161 H16C 109.5 . .
H16B C161 H16C 109.5 . .
O55 C162 O54 126.6(12) . .
O55 C162 C161 119.5(12) . .
O54 C162 C161 113.8(12) . .
C164 C163 H16D 109.5 . .
C164 C163 H16E 109.5 . .
H16D C163 H16E 109.5 . .
C164 C163 H16F 109.5 . .
H16D C163 H16F 109.5 . .
H16E C163 H16F 109.5 . .
O59 C164 O58 119.0(12) . .
O59 C164 C163 120.9(13) . .
O58 C164 C163 120.1(12) . .
C166 C165 H16G 109.5 . .
C166 C165 H16H 109.5 . .
H16G C165 H16H 109.5 . .
C166 C165 H16I 109.5 . .
H16G C165 H16I 109.5 . .
H16H C165 H16I 109.5 . .
O56 C166 O57 123.1(13) . .
O56 C166 C165 119.6(13) . .
O57 C166 C165 117.2(13) . .
C168 C167 H16J 109.5 . .
C168 C167 H16K 109.5 . .
H16J C167 H16K 109.5 . .
C168 C167 H16L 109.5 . .
H16J C167 H16L 109.5 . .
H16K C167 H16L 109.5 . .
O60 C168 O61 124.3(15) . .
O60 C168 C167 118.5(19) . .
O61 C168 C167 117.0(18) . .
C170 C169 H16M 109.5 . .
C170 C169 H16N 109.5 . .
H16M C169 H16N 109.5 . .
C170 C169 H16O 109.5 . .
H16M C169 H16O 109.5 . .
H16N C169 H16O 109.5 . .
O62 C170 O63 118.6(13) . .
O62 C170 C169 119.0(13) . .
O63 C170 C169 122.4(13) . .
O62 C170 Cd16 57.6(6) . .
O63 C170 Cd16 61.6(7) . .
C169 C170 Cd16 169.6(11) . .
C172 C171 H17B 109.5 . .
C172 C171 H17C 109.5 . .
H17B C171 H17C 109.5 . .
C172 C171 H17D 109.5 . .
H17B C171 H17D 109.5 . .
H17C C171 H17D 109.5 . .
O65 C172 O64 125.0(12) . .
O65 C172 C171 118.4(14) . .
O64 C172 C171 116.5(13) . .
C174 C173 H17E 109.5 . .
C174 C173 H17F 109.5 . .
H17E C173 H17F 109.5 . .
C174 C173 H17G 109.5 . .
H17E C173 H17G 109.5 . .
H17F C173 H17G 109.5 . .
O66 C174 O67 125.1(11) . .
O66 C174 C173 119.6(12) . .
O67 C174 C173 115.3(13) . .
C176 C175 H17H 109.5 . .
C176 C175 H17I 109.5 . .
H17H C175 H17I 109.5 . .
C176 C175 H17J 109.5 . .
H17H C175 H17J 109.5 . .
H17I C175 H17J 109.5 . .
O68 C176 O69 122.7(11) . .
O68 C176 C175 119.8(12) . .
O69 C176 C175 117.4(12) . .
C178 C177 H17K 109.5 . .
C178 C177 H17L 109.5 . .
H17K C177 H17L 109.5 . .
C178 C177 H17M 109.5 . .
H17K C177 H17M 109.5 . .
H17L C177 H17M 109.5 . .
O72 C178 O51 119.7(11) . 14
O72 C178 C177 118.3(12) . .
O51 C178 C177 122.0(13) 14 .
O72 C178 Cd15 58.0(6) . .
O51 C178 Cd15 62.2(6) 14 .
C177 C178 Cd15 172.2(12) . .
C180 C179 H17O 109.5 . .
C180 C179 H17P 109.5 . .
H17O C179 H17P 109.5 . .
C180 C179 H17Q 109.5 . .
H17O C179 H17Q 109.5 . .
H17P C179 H17Q 109.5 . .
O70 C180 O71 123.9(13) . .
O70 C180 C179 119.6(15) . .
O71 C180 C179 116.3(14) . .
O70 C180 Cd15 68.3(7) . .
O71 C180 Cd15 56.0(6) . .
C179 C180 Cd15 171.8(13) . .
C183 O73 H73 109.5 . .
C181 O74 H74 109.5 . .
C185 O75 H75 109.5 . .
C187 O76 H76 109.5 . .
C189 O77 H77 109.5 . .
C182 O78 H78 109.5 . .
C186 O79 H79 109.5 . .
C184 O80 H80 109.5 . .
C195 O83 H83 109.5 . .
C192 O84 H84 109.5 . .
C193 O85 H85 109.5 . .
C191 O86 H86 109.5 . .
C194 O90 H90 109.5 . .
C196 O91 H91 109.5 . .
C198 O92 H92 109.5 . .
C197 O94 H94 109.5 . .
C201 O95 H95 109.5 . .
C199 O96 H96 109.5 . .
C200 O97 H97 109.5 . .
O74 C181 H18B 109.5 . .
O74 C181 H18C 109.5 . .
H18B C181 H18C 109.5 . .
O74 C181 H18D 109.5 . .
H18B C181 H18D 109.5 . .
H18C C181 H18D 109.5 . .
O78 C182 H18Z 109.5 . .
O78 C182 H18E 109.5 . .
H18Z C182 H18E 109.5 . .
O78 C182 H182 109.5 . .
H18Z C182 H182 109.5 . .
H18E C182 H182 109.5 . .
O73 C183 H18F 109.5 . .
O73 C183 H18G 109.5 . .
H18F C183 H18G 109.5 . .
O73 C183 H183 109.5 . .
H18F C183 H183 109.5 . .
H18G C183 H183 109.5 . .
O80 C184 H18H 109.5 . .
O80 C184 H18I 109.5 . .
H18H C184 H18I 109.5 . .
O80 C184 H184 109.5 . .
H18H C184 H184 109.5 . .
H18I C184 H184 109.5 . .
O75 C185 H18J 109.5 . .
O75 C185 H18K 109.5 . .
H18J C185 H18K 109.5 . .
O75 C185 H185 109.5 . .
H18J C185 H185 109.5 . .
H18K C185 H185 109.5 . .
O79 C186 H18L 109.5 . .
O79 C186 H18M 109.5 . .
H18L C186 H18M 109.5 . .
O79 C186 H186 109.5 . .
H18L C186 H186 109.5 . .
H18M C186 H186 109.5 . .
O76 C187 H18N 109.5 . .
O76 C187 H18O 109.5 . .
H18N C187 H18O 109.5 . .
O76 C187 H187 109.5 . .
H18N C187 H187 109.5 . .
H18O C187 H187 109.5 . .
O77 C189 H18T 109.5 . .
O77 C189 H18R 109.5 . .
H18T C189 H18R 109.5 . .
O77 C189 H18S 109.5 . .
H18T C189 H18S 109.5 . .
H18R C189 H18S 109.5 . .
O86 C191 H19D 109.5 . .
O86 C191 H19E 109.5 . .
H19D C191 H19E 109.5 . .
O86 C191 H191 109.5 . .
H19D C191 H191 109.5 . .
H19E C191 H191 109.5 . .
O84 C192 H19F 109.5 . .
O84 C192 H19G 109.5 . .
H19F C192 H19G 109.5 . .
O84 C192 H192 109.5 . .
H19F C192 H192 109.5 . .
H19G C192 H192 109.5 . .
O85 C193 H19H 109.5 . .
O85 C193 H19I 109.5 . .
H19H C193 H19I 109.5 . .
O85 C193 H193 109.5 . .
H19H C193 H193 109.5 . .
H19I C193 H193 109.5 . .
O90 C194 H19J 109.5 . .
O90 C194 H19K 109.5 . .
H19J C194 H19K 109.5 . .
O90 C194 H194 109.5 . .
H19J C194 H194 109.5 . .
H19K C194 H194 109.5 . .
O83 C195 H19L 109.5 . .
O83 C195 H19M 109.5 . .
H19L C195 H19M 109.5 . .
O83 C195 H195 109.5 . .
H19L C195 H195 109.5 . .
H19M C195 H195 109.5 . .
O91 C196 H19X 109.5 . .
O91 C196 H19Y 109.5 . .
H19X C196 H19Y 109.5 . .
O91 C196 H19Z 109.5 . .
H19X C196 H19Z 109.5 . .
H19Y C196 H19Z 109.5 . .
O94 C197 H19R 109.5 . .
O94 C197 H19S 109.5 . .
H19R C197 H19S 109.5 . .
O94 C197 H197 109.5 . .
H19R C197 H197 109.5 . .
H19S C197 H197 109.5 . .
O92 C198 H19P 109.5 . .
O92 C198 H19Q 109.5 . .
H19P C198 H19Q 109.5 . .
O92 C198 H198 109.5 . .
H19P C198 H198 109.5 . .
H19Q C198 H198 109.5 . .
O96 C199 H19N 109.5 . .
O96 C199 H19O 109.5 . .
H19N C199 H19O 109.5 . .
O96 C199 H199 109.5 . .
H19N C199 H199 109.5 . .
H19O C199 H199 109.5 . .
O97 C200 H20A 109.5 . .
O97 C200 H20B 109.5 . .
H20A C200 H20B 109.5 . .
O97 C200 H200 109.5 . .
H20A C200 H200 109.5 . .
H20B C200 H200 109.5 . .
O95 C201 H20C 109.5 . .
O95 C201 H20D 109.5 . .
H20C C201 H20D 109.5 . .
O95 C201 H201 109.5 . .
H20C C201 H201 109.5 . .
H20D C201 H201 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O67 2.319(8) .
Yb1 O15 2.327(10) .
Yb1 O65 2.338(9) .
Yb1 O19 2.354(8) .
Yb1 O68 2.388(9) .
Yb1 O50 2.432(10) 14
Yb1 N10 2.566(11) .
Yb1 O16 2.637(9) .
Yb1 Cd13 3.6992(15) .
Yb1 Cd14 3.8667(14) .
Yb2 O46 2.311(9) .
Yb2 O44 2.331(11) .
Yb2 O18 2.352(9) .
Yb2 O14 2.358(9) .
Yb2 O43 2.385(9) .
Yb2 O41 2.446(9) .
Yb2 N7 2.581(11) .
Yb2 O17 2.600(9) .
Yb2 Cd12 3.7050(13) .
Yb2 Cd7 3.8943(14) .
Yb3 O53 2.313(9) .
Yb3 O3 2.321(9) .
Yb3 O7 2.358(10) .
Yb3 O55 2.370(12) .
Yb3 O56 2.382(10) .
Yb3 O58 2.423(9) .
Yb3 O4 2.561(9) .
Yb3 N4 2.563(13) .
Yb3 Cd8 3.6805(13) .
Yb3 Cd6 3.8676(14) .
Yb4 O6 2.294(10) .
Yb4 O32 2.305(9) .
Yb4 O2 2.324(9) .
Yb4 O34 2.355(10) .
Yb4 O29 2.393(10) .
Yb4 O31 2.437(10) .
Yb4 O5 2.576(10) .
Yb4 N1 2.588(12) .
Yb4 Cd10 3.6411(15) .
Yb4 Cd5 3.8523(14) .
Cd5 O35 2.280(10) .
Cd5 O6 2.298(9) .
Cd5 N3 2.313(12) .
Cd5 O33 2.322(10) .
Cd5 O40 2.343(9) .
Cd5 O36 2.417(9) .
Cd6 O54 2.251(11) .
Cd6 O3 2.303(9) .
Cd6 O52 2.311(10) .
Cd6 N2 2.320(12) .
Cd6 O49 2.364(9) .
Cd6 O51 2.389(9) .
Cd7 O45 2.250(10) .
Cd7 O18 2.297(9) .
Cd7 O47 2.320(10) .
Cd7 N9 2.330(11) .
Cd7 O30 2.338(10) 14
Cd7 O48 2.408(10) .
Cd8 O11 2.228(9) .
Cd8 N6 2.253(13) .
Cd8 O57 2.274(10) .
Cd8 O7 2.284(10) .
Cd8 O58 2.319(10) .
Cd8 O8 2.529(11) .
Cd9 O10 2.259(9) .
Cd9 O37 2.273(10) .
Cd9 O42 2.294(9) .
Cd9 O38 2.298(11) .
Cd9 O36 2.437(10) .
Cd9 O9 2.450(10) .
Cd9 O39 2.514(10) .
Cd9 C148 2.717(15) .
Cd9 C146 2.745(14) .
Cd10 O22 2.210(10) 14
Cd10 N11 2.283(11) 14
Cd10 O2 2.295(10) .
Cd10 O28 2.302(10) .
Cd10 O31 2.315(9) .
Cd10 O1 2.558(9) .
Cd11 O22 2.281(9) 14
Cd11 O28 2.280(10) .
Cd11 O27 2.296(10) .
Cd11 O25 2.320(14) .
Cd11 O21 2.396(11) 14
Cd11 O48 2.403(10) 14
Cd11 O26 2.555(13) .
Cd11 C136 2.709(15) .
Cd11 C134 2.729(19) .
Cd12 O10 2.243(9) .
Cd12 N5 2.251(13) .
Cd12 O42 2.273(9) .
Cd12 O14 2.291(9) .
Cd12 O41 2.328(9) .
Cd12 O13 2.518(10) .
Cd13 O23 2.250(9) .
Cd13 N12 2.275(12) .
Cd13 O69 2.276(8) .
Cd13 O19 2.295(9) .
Cd13 O50 2.330(9) 14
Cd13 O20 2.529(9) .
Cd14 O64 2.261(10) .
Cd14 O15 2.290(8) .
Cd14 O66 2.324(10) .
Cd14 N8 2.330(12) .
Cd14 O59 2.349(9) .
Cd14 O63 2.422(10) .
Cd15 O23 2.270(9) .
Cd15 O71 2.292(10) .
Cd15 O69 2.294(10) .
Cd15 O72 2.306(10) .
Cd15 O51 2.397(9) 14
Cd15 O24 2.436(10) .
Cd15 O70 2.560(12) .
Cd15 C178 2.711(15) .
Cd15 C180 2.747(16) .
Cd16 O60 2.249(13) .
Cd16 O11 2.270(10) .
Cd16 O57 2.291(9) .
Cd16 O62 2.302(11) .
Cd16 O63 2.390(11) .
Cd16 O12 2.422(10) .
Cd16 C170 2.717(16) .
N1 C8 1.302(18) .
N1 C9 1.455(18) .
N2 C15 1.280(17) .
N2 C14 1.462(17) .
N3 C30 1.283(18) .
N3 C31 1.475(19) .
N4 C37 1.266(19) .
N4 C36 1.493(18) .
N5 C52 1.26(2) .
N5 C53 1.50(2) .
N6 C59 1.273(19) .
N6 C58 1.466(19) .
N7 C74 1.266(16) .
N7 C75 1.489(12) .
N8 C81 1.257(14) .
N8 C80 1.460(13) .
N9 C96 1.219(14) .
N9 C97 1.482(13) .
N10 C103 1.331(13) .
N10 C102 1.480(13) .
N11 C118 1.262(14) .
N11 C119 1.484(14) .
N11 Cd10 2.283(11) 14
N11 H11A 0.8600 .
N12 C125 1.280(15) .
N12 C124 1.475(14) .
O1 C2 1.347(18) .
O1 C1 1.439(18) .
O2 C7 1.340(16) .
O3 C21 1.345(16) .
O4 C20 1.392(17) .
O4 C22 1.444(17) .
O5 C24 1.388(18) .
O5 C23 1.453(17) .
O6 C29 1.358(17) .
O7 C43 1.296(18) .
O8 C42 1.41(2) .
O8 C44 1.454(18) .
O9 C46 1.37(2) .
O9 C45 1.441(16) .
O10 C51 1.290(17) .
O11 C65 1.313(14) .
O12 C64 1.406(17) .
O12 C66 1.425(15) .
O13 C68 1.403(15) .
O13 C67 1.434(16) .
O14 C73 1.326(15) .
O15 C87 1.343(13) .
O16 C86 1.371(14) .
O16 C88 1.426(15) .
O17 C90 1.381(15) .
O17 C89 1.456(13) .
O18 C95 1.294(14) .
O19 C109 1.345(13) .
O20 C108 1.393(14) .
O20 C110 1.411(15) .
O21 C112 1.412(15) .
O21 C111 1.431(15) .
O21 Cd11 2.397(11) 14
O22 C117 1.284(15) .
O22 Cd10 2.210(10) 14
O22 Cd11 2.282(9) 14
O23 C131 1.335(15) .
O24 C130 1.391(16) .
O24 C132 1.442(15) .
O25 C134 1.177(19) .
O26 C134 1.268(19) .
O27 C136 1.280(16) .
O28 C138 1.238(16) .
O29 C138 1.245(16) .
O30 C140 1.254(13) .
O30 Cd7 2.338(10) 14
O31 C140 1.279(13) .
O32 C142 1.283(16) .
O33 C142 1.234(16) .
O34 C144 1.279(15) .
O35 C144 1.234(16) .
O36 C146 1.251(13) .
O37 C146 1.280(13) .
O38 C148 1.245(16) .
O39 C148 1.218(17) .
O40 C152 1.257(12) .
O41 C152 1.276(14) .
O42 C150 1.231(14) .
O43 C150 1.283(13) .
O44 C154 1.238(17) .
O45 C154 1.278(15) .
O46 C156 1.253(14) .
O47 C156 1.251(13) .
O48 C136 1.265(14) 14
O48 Cd11 2.404(10) 14
O49 C158 1.246(16) .
O50 C158 1.270(14) .
O50 Cd13 2.330(9) 14
O50 Yb1 2.432(10) 14
O51 C178 1.278(14) 14
O51 Cd15 2.397(9) 14
O52 C160 1.267(16) .
O53 C160 1.242(16) .
O54 C162 1.281(14) .
O55 C162 1.192(15) .
O56 C166 1.253(16) .
O57 C166 1.252(16) .
O58 C164 1.273(15) .
O59 C164 1.270(14) .
O60 C168 1.22(2) .
O61 C168 1.28(2) .
O62 C170 1.265(16) .
O63 C170 1.274(15) .
O64 C172 1.250(16) .
O65 C172 1.242(15) .
O66 C174 1.259(16) .
O67 C174 1.269(14) .
O68 C176 1.251(14) .
O69 C176 1.285(14) .
O70 C180 1.221(16) .
O71 C180 1.268(17) .
O72 C178 1.262(15) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.38(2) .
C2 C7 1.43(2) .
C3 C4 1.39(2) .
C3 H3A 0.9300 .
C4 C5 1.40(2) .
C4 H4A 0.9300 .
C5 C6 1.42(2) .
C5 H5A 0.9300 .
C6 C7 1.38(2) .
C6 C8 1.43(2) .
C8 H8A 0.9300 .
C9 C10 1.51(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.50(2) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.54(2) .
C11 H11B 0.9700 .
C11 H11C 0.9700 .
C12 C13 1.48(2) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.49(2) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.438(19) .
C15 H15A 0.9300 .
C16 C17 1.40(2) .
C16 C21 1.409(19) .
C17 C18 1.38(2) .
C17 H17A 0.9300 .
C18 C19 1.39(2) .
C18 H18A 0.9300 .
C19 C20 1.39(2) .
C19 H19A 0.9300 .
C20 C21 1.41(2) .
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 1.37(2) .
C24 C29 1.39(2) .
C25 C26 1.34(2) .
C25 H25A 0.9300 .
C26 C27 1.39(2) .
C26 H26A 0.9300 .
C27 C28 1.43(2) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.40(2) .
C28 C30 1.44(2) .
C30 H30A 0.9300 .
C31 C32 1.51(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.52(2) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.53(2) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.51(2) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.52(2) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.46(2) .
C37 H37A 0.9300 .
C38 C39 1.37(2) .
C38 C43 1.44(2) .
C39 C40 1.37(2) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 C41 1.37(3) .
C40 H40A 0.9300 .
C41 C42 1.35(2) .
C41 H41A 0.9300 .
C42 C43 1.43(2) .
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 1.39(3) .
C46 C51 1.44(2) .
C47 C48 1.32(3) .
C47 H47A 0.9300 .
C48 C49 1.39(3) .
C48 H48B 0.9300 .
C49 C50 1.42(3) .
C49 H49A 0.9300 .
C50 C51 1.43(2) .
C50 C52 1.46(2) .
C52 H52A 0.9300 .
C53 C54 1.57(3) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 C55 1.56(3) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.37(3) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C57 1.55(3) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58 1.45(3) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 C60 1.457(15) .
C59 H59A 0.9300 .
C60 C65 1.39(2) .
C60 C61 1.41(2) .
C61 C62 1.38(2) .
C61 H61A 0.9300 .
C62 C63 1.33(2) .
C62 H62A 0.9300 .
C63 C64 1.38(2) .
C63 H63A 0.9300 .
C64 C65 1.43(2) .
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 1.34(2) .
C68 C73 1.45(2) .
C69 C70 1.40(2) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 C71 1.37(2) .
C70 H70A 0.9300 .
C71 C72 1.37(2) .
C71 H71A 0.9300 .
C72 C73 1.42(2) .
C72 C74 1.45(2) .
C74 H74A 0.9300 .
C75 C76 1.540(19) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 C77 1.554(18) .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C77 C78 1.503(19) .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 C79 1.500(18) .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C79 C80 1.516(18) .
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 C82 1.48(2) .
C81 H81A 0.9300 .
C82 C83 1.395(19) .
C82 C87 1.40(2) .
C83 C84 1.372(19) .
C83 H83A 0.9300 .
C84 C85 1.37(2) .
C84 H84A 0.9300 .
C85 C86 1.382(19) .
C85 H85A 0.9300 .
C86 C87 1.415(18) .
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 1.36(2) .
C90 C95 1.429(19) .
C91 C92 1.39(2) .
C91 H91A 0.9300 .
C92 C93 1.38(2) .
C92 H92A 0.9300 .
C93 C94 1.39(2) .
C93 H93A 0.9300 .
C94 C95 1.407(19) .
C94 C96 1.49(2) .
C96 H96A 0.9300 .
C97 C98 1.495(18) .
C97 H97A 0.9700 .
C97 H97B 0.9700 .
C98 C99 1.484(18) .
C98 H98A 0.9700 .
C98 H98B 0.9700 .
C99 C100 1.531(18) .
C99 H99A 0.9700 .
C99 H99B 0.9700 .
C100 C101 1.527(18) .
C100 H10C 0.9700 .
C100 H10D 0.9700 .
C101 C102 1.506(19) .
C101 H10E 0.9700 .
C101 H10F 0.9700 .
C102 H10G 0.9700 .
C102 H10H 0.9700 .
C103 C104 1.435(18) .
C103 H10I 0.9300 .
C104 C109 1.395(19) .
C104 C105 1.422(18) .
C105 C106 1.36(2) .
C105 H10J 0.9300 .
C106 C107 1.41(2) .
C106 H10K 0.9300 .
C107 C108 1.345(19) .
C107 H10L 0.9300 .
C108 C109 1.402(19) .
C110 H11D 0.9600 .
C110 H11E 0.9600 .
C110 H11F 0.9600 .
C111 H11G 0.9600 .
C111 H11H 0.9600 .
C111 H11I 0.9600 .
C112 C113 1.37(2) .
C112 C117 1.43(2) .
C113 C114 1.43(2) .
C113 H11J 0.9300 .
C114 C115 1.37(2) .
C114 H11K 0.9300 .
C115 C116 1.42(2) .
C115 H11L 0.9300 .
C116 C117 1.441(19) .
C116 C118 1.44(2) .
C118 H11M 0.9300 .
C119 C120 1.55(2) .
C119 H11N 0.9700 .
C119 H11O 0.9700 .
C120 C121 1.58(2) .
C120 H12C 0.9700 .
C120 H12D 0.9700 .
C121 C122 1.49(2) .
C121 H12E 0.9700 .
C121 H12F 0.9700 .
C122 C123 1.56(2) .
C122 H12G 0.9700 .
C122 H12H 0.9700 .
C123 C124 1.49(2) .
C123 H12I 0.9700 .
C123 H12J 0.9700 .
C124 H12K 0.9700 .
C124 H12L 0.9700 .
C125 C126 1.48(2) .
C125 H12M 0.9300 .
C126 C127 1.37(2) .
C126 C131 1.39(2) .
C127 C128 1.36(2) .
C127 H12N 0.9300 .
C128 C129 1.41(2) .
C128 H12O 0.9300 .
C129 C130 1.36(2) .
C129 H12P 0.9700 .
C129 H12Q 0.9700 .
C130 C131 1.42(2) .
C132 H13C 0.9600 .
C132 H13D 0.9600 .
C132 H13E 0.9600 .
C133 C134 1.61(3) .
C133 H13F 0.9600 .
C133 H13G 0.9600 .
C133 H13H 0.9600 .
C135 C136 1.52(2) .
C135 H13I 0.9600 .
C135 H13J 0.9600 .
C135 H13K 0.9600 .
C136 O48 1.265(14) 14
C137 C138 1.52(2) .
C137 H13M 0.9600 .
C137 H13N 0.9600 .
C137 H13O 0.9600 .
C139 C140 1.492(19) .
C139 H13P 0.9600 .
C139 H13Q 0.9600 .
C139 H13R 0.9600 .
C141 C142 1.51(2) .
C141 H14C 0.9600 .
C141 H14D 0.9600 .
C141 H14E 0.9600 .
C143 C144 1.44(2) .
C143 H14F 0.9600 .
C143 H14G 0.9600 .
C143 H14H 0.9600 .
C145 C146 1.47(2) .
C145 H14I 0.9600 .
C145 H14J 0.9600 .
C145 H14K 0.9600 .
C147 C148 1.52(2) .
C147 H14L 0.9600 .
C147 H14M 0.9600 .
C147 H14N 0.9600 .
C149 C150 1.57(2) .
C149 H14O 0.9600 .
C149 H14P 0.9600 .
C149 H14Q 0.9600 .
C151 C152 1.49(2) .
C151 H15B 0.9600 .
C151 H15C 0.9600 .
C151 H15D 0.9600 .
C153 C154 1.48(2) .
C153 H15E 0.9600 .
C153 H15F 0.9600 .
C153 H15G 0.9600 .
C155 C156 1.52(2) .
C155 H15H 0.9600 .
C155 H15I 0.9600 .
C155 H15J 0.9600 .
C157 C158 1.512(19) .
C157 H15K 0.9600 .
C157 H15L 0.9600 .
C157 H15M 0.9600 .
C159 C160 1.54(2) .
C159 H15N 0.9600 .
C159 H15O 0.9600 .
C159 H15P 0.9600 .
C161 C162 1.53(2) .
C161 H16A 0.9600 .
C161 H16B 0.9600 .
C161 H16C 0.9600 .
C163 C164 1.48(2) .
C163 H16D 0.9600 .
C163 H16E 0.9600 .
C163 H16F 0.9600 .
C165 C166 1.53(2) .
C165 H16G 0.9600 .
C165 H16H 0.9600 .
C165 H16I 0.9600 .
C167 C168 1.52(3) .
C167 H16J 0.9600 .
C167 H16K 0.9600 .
C167 H16L 0.9600 .
C169 C170 1.49(2) .
C169 H16M 0.9600 .
C169 H16N 0.9600 .
C169 H16O 0.9600 .
C171 C172 1.54(2) .
C171 H17B 0.9600 .
C171 H17C 0.9600 .
C171 H17D 0.9600 .
C173 C174 1.47(2) .
C173 H17E 0.9600 .
C173 H17F 0.9600 .
C173 H17G 0.9600 .
C175 C176 1.510(19) .
C175 H17H 0.9600 .
C175 H17I 0.9600 .
C175 H17J 0.9600 .
C177 C178 1.52(2) .
C177 H17K 0.9600 .
C177 H17L 0.9600 .
C177 H17M 0.9600 .
C178 O51 1.278(14) 14
C179 C180 1.53(2) .
C179 H17O 0.9600 .
C179 H17P 0.9600 .
C179 H17Q 0.9600 .
O73 C183 1.521(9) .
O73 H73 0.8200 .
O74 C181 1.527(10) .
O74 H74 0.8200 .
O75 C185 1.536(10) .
O75 H75 0.8200 .
O76 C187 1.43(3) .
O76 H76 0.8200 .
O77 C189 1.561(10) .
O77 H77 0.8200 .
O78 C182 1.42(3) .
O78 H78 0.8200 .
O79 C186 1.46(3) .
O79 H79 0.8200 .
O80 C184 1.47(3) .
O80 H80 0.8200 .
O83 C195 1.48(6) .
O83 H83 0.8200 .
O84 C192 1.543(10) .
O84 H84 0.8200 .
O85 C193 1.549(11) .
O85 H85 0.8200 .
O86 C191 1.540(10) .
O86 H86 0.8200 .
O90 C194 1.51(6) .
O90 H90 0.8200 .
O91 C196 1.546(11) .
O91 H91 0.8200 .
O92 C198 1.547(10) .
O92 H92 0.8200 .
O94 C197 1.541(10) .
O94 H94 0.8200 .
O95 C201 1.546(10) .
O95 H95 0.8200 .
O96 C199 1.549(12) .
O96 H96 0.8200 .
O97 C200 1.55(2) .
O97 H97 0.8200 .
C181 H18B 0.9600 .
C181 H18C 0.9600 .
C181 H18D 0.9600 .
C182 H18Z 0.9600 .
C182 H18E 0.9600 .
C182 H182 0.9600 .
C183 H18F 0.9600 .
C183 H18G 0.9600 .
C183 H183 0.9600 .
C184 H18H 0.9600 .
C184 H18I 0.9600 .
C184 H184 0.9600 .
C185 H18J 0.9600 .
C185 H18K 0.9600 .
C185 H185 0.9600 .
C186 H18L 0.9600 .
C186 H18M 0.9600 .
C186 H186 0.9600 .
C187 H18N 0.9600 .
C187 H18O 0.9600 .
C187 H187 0.9600 .
C189 H18T 0.9600 .
C189 H18R 0.9600 .
C189 H18S 0.9600 .
C191 H19D 0.9600 .
C191 H19E 0.9600 .
C191 H191 0.9600 .
C192 H19F 0.9600 .
C192 H19G 0.9600 .
C192 H192 0.9600 .
C193 H19H 0.9600 .
C193 H19I 0.9600 .
C193 H193 0.9600 .
C194 H19J 0.9600 .
C194 H19K 0.9600 .
C194 H194 0.9600 .
C195 H19L 0.9600 .
C195 H19M 0.9600 .
C195 H195 0.9600 .
C196 H19X 0.9600 .
C196 H19Y 0.9600 .
C196 H19Z 0.9600 .
C197 H19R 0.9600 .
C197 H19S 0.9600 .
C197 H197 0.9600 .
C198 H19P 0.9600 .
C198 H19Q 0.9600 .
C198 H198 0.9600 .
C199 H19N 0.9600 .
C199 H19O 0.9600 .
C199 H199 0.9600 .
C200 H20A 0.9600 .
C200 H20B 0.9600 .
C200 H200 0.9600 .
C201 H20C 0.9600 .
C201 H20D 0.9600 .
C201 H201 0.9600 .
