#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:15:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178943 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/72/4117283.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_4117283
loop_
_publ_author_name
'Yan-Zhen Zheng'
'Marco Evangelisti'
'Floriana Tuna'
'Richard E. P. Winpenny'
_publ_section_title
;
 Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic
 Refrigerants
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1057
_journal_page_last               1065
_journal_paper_doi               10.1021/ja208367k
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C112 H222 Co8 N4 O73 P8 Yb8'
_chemical_formula_weight         4896.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.3738(17)
_cell_length_b                   20.4284(9)
_cell_length_c                   24.9837(12)
_cell_measurement_temperature    100(2)
_cell_volume                     17682.8(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            59954
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    5.068
_exptl_absorpt_correction_T_max  0.5169
_exptl_absorpt_correction_T_min  0.1100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_description       needle
_exptl_crystal_F_000             9608
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.763
_refine_diff_density_min         -2.142
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1330
_refine_ls_number_reflns         15513
_refine_ls_number_restraints     2293
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0749
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0803P)²+475.0915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1789
_refine_ls_wR_factor_ref         0.2031
_reflns_number_gt                10957
_reflns_number_total             15513
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja208367k_si_016.cif
_cod_data_source_block           coybm
_cod_database_code               4117283
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.559902(17) 1.66383(3) 0.83569(2) 0.05519(18) Uani 1 1 d U . .
Yb2 Yb 0.633618(19) 1.53572(4) 0.88951(3) 0.0785(2) Uani 1 1 d U . .
Yb3 Yb 0.65028(2) 1.29180(4) 0.82169(3) 0.0789(3) Uani 1 1 d DU . .
Yb4 Yb 0.58388(11) 1.15859(18) 0.77905(15) 0.0696(7) Uani 0.509(4) 1 d PDU . 1
O34 O 0.5949(4) 1.2643(8) 0.7675(11) 0.063(2) Uani 0.509(4) 1 d PDU . 1
H34D H 0.5924 1.2780 0.7285 0.075 Uiso 0.509(4) 1 calc PR . 1
C81 C 0.6404(6) 1.1359(8) 0.8581(7) 0.107(3) Uani 0.509(4) 1 d PDU . 1
C90 C 0.6764(6) 1.1020(12) 0.8863(9) 0.121(4) Uani 0.509(4) 1 d PDU . 1
O22 O 0.6431(8) 1.1985(9) 0.8571(11) 0.101(2) Uani 0.509(4) 1 d PDU . 1
O38 O 0.6114(6) 1.0992(11) 0.8383(9) 0.110(3) Uani 0.509(4) 1 d PDU . 1
C88 C 0.6655(9) 1.0382(13) 0.9132(13) 0.141(6) Uani 0.509(4) 1 d PDU . 1
H88A H 0.6454 1.0477 0.9339 0.212 Uiso 0.509(4) 1 calc PR . 1
H88B H 0.6883 1.0207 0.9380 0.212 Uiso 0.509(4) 1 calc PR . 1
H88C H 0.6559 1.0058 0.8848 0.212 Uiso 0.509(4) 1 calc PR . 1
C85 C 0.6998(8) 1.0869(18) 0.8433(12) 0.139(7) Uani 0.509(4) 1 d PDU . 1
H85A H 0.7032 1.1270 0.8232 0.208 Uiso 0.509(4) 1 calc PR . 1
H85B H 0.6863 1.0541 0.8179 0.208 Uiso 0.509(4) 1 calc PR . 1
H85C H 0.7252 1.0698 0.8610 0.208 Uiso 0.509(4) 1 calc PR . 1
C91 C 0.6980(9) 1.1477(17) 0.9312(12) 0.132(7) Uani 0.509(4) 1 d PDU . 1
H91A H 0.7084 1.1851 0.9142 0.198 Uiso 0.509(4) 1 calc PR . 1
H91B H 0.7193 1.1237 0.9542 0.198 Uiso 0.509(4) 1 calc PR . 1
H91C H 0.6802 1.1634 0.9536 0.198 Uiso 0.509(4) 1 calc PR . 1
Yb4' Yb 0.57016(12) 1.16028(19) 0.75897(15) 0.0696(7) Uani 0.491(4) 1 d PU . 2
O34' O 0.5875(6) 1.2715(11) 0.7704(11) 0.0579(19) Uani 0.491(4) 1 d PU . 2
H34E H 0.5844 1.2930 0.7338 0.070 Uiso 0.491(4) 1 calc PR . 2
C81' C 0.6531(7) 1.1619(12) 0.8764(11) 0.105(3) Uani 0.491(4) 1 d PDU . 2
O22' O 0.6234(7) 1.1723(13) 0.8373(10) 0.095(2) Uani 0.491(4) 1 d PDU . 2
O38' O 0.6768(7) 1.2102(11) 0.8829(10) 0.101(3) Uani 0.491(4) 1 d PDU . 2
C90' C 0.6652(7) 1.0989(12) 0.9049(10) 0.120(4) Uani 0.491(4) 1 d PDU . 2
C91' C 0.6345(11) 1.0472(13) 0.8819(16) 0.134(6) Uani 0.491(4) 1 d PDU . 2
H91D H 0.6440 1.0036 0.8942 0.201 Uiso 0.491(4) 1 calc PR . 2
H91E H 0.6292 1.0488 0.8419 0.201 Uiso 0.491(4) 1 calc PR . 2
H91F H 0.6107 1.0564 0.8949 0.201 Uiso 0.491(4) 1 calc PR . 2
C85' C 0.7040(9) 1.0778(19) 0.8941(16) 0.138(6) Uani 0.491(4) 1 d PDU . 2
H85D H 0.7092 1.0325 0.9063 0.207 Uiso 0.491(4) 1 calc PR . 2
H85E H 0.7242 1.1064 0.9141 0.207 Uiso 0.491(4) 1 calc PR . 2
H85F H 0.7036 1.0807 0.8549 0.207 Uiso 0.491(4) 1 calc PR . 2
C88' C 0.6675(12) 1.1041(19) 0.9661(10) 0.140(8) Uani 0.491(4) 1 d PDU . 2
H88D H 0.6763 1.0623 0.9835 0.210 Uiso 0.491(4) 1 calc PR . 2
H88E H 0.6419 1.1146 0.9732 0.210 Uiso 0.491(4) 1 calc PR . 2
H88F H 0.6857 1.1387 0.9811 0.210 Uiso 0.491(4) 1 calc PR . 2
Co1 Co 0.56228(5) 1.51237(8) 0.77533(7) 0.0487(4) Uani 1 1 d U . .
Co2 Co 0.5000 1.78360(12) 0.7500 0.0700(8) Uani 1 2 d SU . .
Co3 Co 0.55217(6) 1.31009(9) 0.81031(8) 0.0611(5) Uani 1 1 d DU . .
Co4 Co 0.71002(6) 1.41556(16) 0.91009(9) 0.0957(8) Uani 1 1 d U . .
Co5 Co 0.5000 1.03837(14) 0.7500 0.1014(11) Uani 1 2 d SU . .
P1 P 0.54202(10) 1.66167(16) 0.71172(14) 0.0519(7) Uani 1 1 d U . .
P2 P 0.65633(11) 1.4616(2) 0.79560(15) 0.0679(9) Uani 1 1 d U . .
P3 P 0.6261(7) 1.3709(13) 0.9146(10) 0.0751(12) Uani 0.50 1 d PU . 1
P3' P 0.6211(7) 1.3632(13) 0.9093(10) 0.0751(12) Uani 0.50 1 d PU . 2
P4 P 0.5036(3) 1.1634(5) 0.8196(4) 0.066(2) Uani 0.509(4) 1 d PDU . 1
O23 O 0.5349(6) 1.2154(10) 0.8171(9) 0.067(3) Uani 0.509(4) 1 d PDU . 1
O21 O 0.5209(7) 1.1040(10) 0.7940(8) 0.071(3) Uani 0.509(4) 1 d PDU . 1
O36 O 0.4629(6) 1.1823(12) 0.7883(9) 0.070(3) Uani 0.509(4) 1 d PDU . 1
C55 C 0.5008(6) 1.1469(9) 0.8894(11) 0.072(3) Uani 0.509(4) 1 d PDU . 1
C56 C 0.4718(8) 1.0916(13) 0.8901(11) 0.076(4) Uani 0.509(4) 1 d PDU . 1
H56A H 0.4701 1.0818 0.9279 0.113 Uiso 0.509(4) 1 calc PR . 1
H56B H 0.4803 1.0524 0.8732 0.113 Uiso 0.509(4) 1 calc PR . 1
H56C H 0.4463 1.1050 0.8696 0.113 Uiso 0.509(4) 1 calc PR . 1
C57 C 0.5406(8) 1.1273(14) 0.9210(10) 0.084(4) Uani 0.509(4) 1 d PDU . 1
H57A H 0.5392 1.1172 0.9589 0.125 Uiso 0.509(4) 1 calc PR . 1
H57B H 0.5587 1.1634 0.9204 0.125 Uiso 0.509(4) 1 calc PR . 1
H57C H 0.5495 1.0886 0.9039 0.125 Uiso 0.509(4) 1 calc PR . 1
C80 C 0.4870(8) 1.2092(13) 0.9137(9) 0.075(4) Uani 0.509(4) 1 d PDU . 1
H80A H 0.4848 1.2010 0.9516 0.112 Uiso 0.509(4) 1 calc PR . 1
H80B H 0.4617 1.2220 0.8923 0.112 Uiso 0.509(4) 1 calc PR . 1
H80C H 0.5055 1.2446 0.9127 0.112 Uiso 0.509(4) 1 calc PR . 1
P4' P 0.5175(3) 1.1611(6) 0.8389(5) 0.068(2) Uani 0.491(4) 1 d PDU . 2
O23' O 0.5486(7) 1.2129(11) 0.8354(10) 0.069(3) Uani 0.491(4) 1 d PU . 2
O21' O 0.5344(7) 1.1007(11) 0.8150(9) 0.073(3) Uani 0.491(4) 1 d PU . 2
O36' O 0.4770(8) 1.1791(10) 0.8087(9) 0.062(3) Uani 0.491(4) 1 d PU . 2
C55' C 0.5165(6) 1.1427(10) 0.9108(12) 0.073(4) Uani 0.491(4) 1 d PDU . 2
C80' C 0.5056(9) 1.2062(14) 0.9374(10) 0.075(4) Uani 0.491(4) 1 d PDU . 2
H80D H 0.5043 1.1976 0.9756 0.112 Uiso 0.491(4) 1 calc PR . 2
H80E H 0.4804 1.2216 0.9176 0.112 Uiso 0.491(4) 1 calc PR . 2
H80F H 0.5251 1.2398 0.9360 0.112 Uiso 0.491(4) 1 calc PR . 2
C57' C 0.5571(8) 1.1187(14) 0.9389(10) 0.084(4) Uani 0.491(4) 1 d PDU . 2
H57D H 0.5573 1.1088 0.9773 0.125 Uiso 0.491(4) 1 calc PR . 2
H57E H 0.5761 1.1529 0.9366 0.125 Uiso 0.491(4) 1 calc PR . 2
H57F H 0.5636 1.0791 0.9205 0.125 Uiso 0.491(4) 1 calc PR . 2
C56' C 0.4860(8) 1.0885(14) 0.9115(12) 0.076(4) Uani 0.491(4) 1 d PDU . 2
H56D H 0.4845 1.0785 0.9493 0.113 Uiso 0.491(4) 1 calc PR . 2
H56E H 0.4934 1.0490 0.8938 0.113 Uiso 0.491(4) 1 calc PR . 2
H56F H 0.4607 1.1038 0.8916 0.113 Uiso 0.491(4) 1 calc PR . 2
O2 O 0.5598(2) 1.6086(4) 0.7524(3) 0.0512(15) Uani 1 1 d U . .
O3 O 0.5705(2) 1.5545(4) 0.8510(3) 0.0552(14) Uani 1 1 d U . .
H3D H 0.5527 1.5357 0.8735 0.066 Uiso 1 1 calc R . .
O4 O 0.5432(3) 1.7224(4) 0.7494(4) 0.0589(16) Uani 1 1 d U . .
O5 O 0.6212(3) 1.5061(5) 0.7954(4) 0.0630(16) Uani 1 1 d U . .
O6 O 0.5018(2) 1.6474(4) 0.6806(3) 0.0505(17) Uani 1 1 d U . .
O7 O 0.6128(3) 1.4382(6) 0.9054(4) 0.0748(17) Uani 1 1 d U . .
O9 O 0.6464(3) 1.3897(5) 0.7866(3) 0.0639(17) Uani 1 1 d U . .
O10 O 0.5632(3) 1.6542(5) 0.9248(4) 0.069(2) Uani 1 1 d DU . .
O46 O 0.6005(3) 1.3214(5) 0.8672(4) 0.0720(16) Uani 1 1 d U . .
O45 O 0.6815(3) 1.4762(6) 0.8521(4) 0.0775(18) Uani 1 1 d U . .
O20 O 0.5747(9) 1.0592(15) 0.7331(14) 0.105(4) Uani 0.509(4) 1 d PU . 1
O20' O 0.5890(10) 1.0581(16) 0.7533(15) 0.107(4) Uani 0.491(4) 1 d PU . 2
O24 O 0.5333(11) 0.9831(17) 0.7208(15) 0.110(5) Uani 0.509(4) 1 d PU . 1
O24' O 0.5440(11) 0.9762(18) 0.7420(15) 0.109(4) Uani 0.491(4) 1 d PU . 2
C21 C 0.5719(4) 1.6745(7) 0.6614(6) 0.064(3) Uani 1 1 d U . .
O13 O 0.5557(4) 1.7658(5) 0.8597(5) 0.094(3) Uani 1 1 d U . .
C24 C 0.6826(5) 1.4898(9) 0.7442(6) 0.078(3) Uani 1 1 d U . .
O14 O 0.6694(9) 1.3587(19) 0.9113(12) 0.078(2) Uani 0.509(4) 1 d PU . 1
O14' O 0.6626(9) 1.3474(19) 0.9025(12) 0.077(2) Uani 0.491(4) 1 d PU . 2
O16 O 0.7140(3) 1.3003(7) 0.8372(5) 0.102(3) Uani 1 1 d DU . .
C27 C 0.5280(5) 1.6328(10) 1.0114(7) 0.097(5) Uani 1 1 d U . .
H27A H 0.5208 1.6297 1.0472 0.146 Uiso 1 1 calc R . .
H27B H 0.5109 1.6048 0.9852 0.146 Uiso 1 1 calc R . .
H27C H 0.5255 1.6783 0.9987 0.146 Uiso 1 1 calc R . .
O11 O 0.6104(3) 1.5822(6) 0.9567(4) 0.083(2) Uani 1 1 d DU . .
C29 C 0.5474(7) 1.8691(8) 0.9040(8) 0.099(3) Uani 1 1 d U . .
O17 O 0.7530(3) 1.3740(7) 0.8845(5) 0.100(3) Uani 1 1 d DU . .
C34 C 0.6561(5) 1.4830(9) 0.6881(6) 0.089(4) Uani 1 1 d U . .
H34A H 0.6700 1.4966 0.6598 0.133 Uiso 1 1 calc R . .
H34B H 0.6333 1.5108 0.6865 0.133 Uiso 1 1 calc R . .
H34C H 0.6481 1.4372 0.6821 0.133 Uiso 1 1 calc R . .
O19 O 0.6646(3) 1.2418(6) 0.7480(5) 0.086(2) Uani 1 1 d U . .
O18 O 0.6154(7) 1.1682(13) 0.7084(10) 0.081(3) Uani 0.509(4) 1 d PU . 1
O18' O 0.6297(8) 1.1635(14) 0.7287(11) 0.081(3) Uani 0.491(4) 1 d PU . 2
C38 C 0.5556(5) 1.7315(7) 0.6241(6) 0.075(4) Uani 1 1 d U . .
H38A H 0.5720 1.7393 0.5976 0.112 Uiso 1 1 calc R . .
H38B H 0.5549 1.7710 0.6462 0.112 Uiso 1 1 calc R . .
H38C H 0.5294 1.7208 0.6048 0.112 Uiso 1 1 calc R . .
O15 O 0.7376(3) 1.4705(8) 0.9714(5) 0.109(3) Uani 1 1 d DU . .
C47 C 0.5711(4) 1.6098(7) 0.6290(6) 0.069(3) Uani 1 1 d U . .
H47A H 0.5875 1.6142 0.6019 0.104 Uiso 1 1 calc R . .
H47B H 0.5445 1.6003 0.6103 0.104 Uiso 1 1 calc R . .
H47C H 0.5807 1.5740 0.6541 0.104 Uiso 1 1 calc R . .
C46 C 0.5756(7) 1.9174(9) 0.8886(9) 0.126(6) Uani 1 1 d U . .
H46A H 0.5837 1.9483 0.9187 0.189 Uiso 1 1 calc R . .
H46B H 0.5632 1.9413 0.8557 0.189 Uiso 1 1 calc R . .
H46C H 0.5982 1.8939 0.8814 0.189 Uiso 1 1 calc R . .
O12 O 0.5118(15) 1.8399(18) 0.8081(13) 0.087(4) Uani 0.509(4) 1 d PU . 1
O12' O 0.5152(16) 1.8339(19) 0.8226(14) 0.085(4) Uani 0.491(4) 1 d PU . 2
C53 C 0.5819(4) 1.6180(7) 0.9636(5) 0.075(3) Uani 1 1 d DU . .
C54 C 0.6257(6) 1.2685(8) 0.9854(7) 0.108(5) Uani 1 1 d DU . .
H54B H 0.6293 1.2519 0.9508 0.129 Uiso 1 1 d R . .
H54C H 0.6497 1.2637 1.0107 0.129 Uiso 1 1 d R . .
H54A H 0.6067 1.2423 0.9977 0.129 Uiso 1 1 d R . .
C58 C 0.6423(5) 1.3786(10) 1.0223(6) 0.103(5) Uani 1 1 d DU . .
H58A H 0.6399 1.3627 1.0585 0.155 Uiso 1 1 calc R . .
H58B H 0.6351 1.4249 1.0188 0.155 Uiso 1 1 calc R . .
H58C H 0.6690 1.3734 1.0179 0.155 Uiso 1 1 calc R . .
C59 C 0.7468(4) 1.3246(8) 0.8543(7) 0.104(3) Uani 1 1 d DU . .
C60 C 0.6160(4) 1.3399(8) 0.9792(6) 0.097(4) Uani 1 1 d DU . .
C61 C 0.5088(7) 1.9040(9) 0.9096(9) 0.126(6) Uani 1 1 d U . .
H61A H 0.5140 1.9354 0.9399 0.189 Uiso 1 1 calc R . .
H61B H 0.4902 1.8712 0.9168 0.189 Uiso 1 1 calc R . .
H61C H 0.4980 1.9272 0.8756 0.189 Uiso 1 1 calc R . .
C62 C 0.5742(4) 1.3507(11) 0.9806(6) 0.105(5) Uani 1 1 d DU . .
H62A H 0.5684 1.3307 1.0137 0.157 Uiso 1 1 calc R . .
H62B H 0.5580 1.3306 0.9483 0.157 Uiso 1 1 calc R . .
H62C H 0.5689 1.3978 0.9807 0.157 Uiso 1 1 calc R . .
C63 C 0.6500(5) 1.2006(8) 0.7130(7) 0.081(3) Uani 1 1 d U . .
C71 C 0.5376(7) 1.8190(8) 0.8570(8) 0.089(3) Uani 1 1 d U . .
C74 C 0.5639(7) 1.8346(8) 0.9552(8) 0.111(5) Uani 1 1 d U . .
H74A H 0.5710 1.8666 0.9848 0.166 Uiso 1 1 calc R . .
H74B H 0.5869 1.8104 0.9506 0.166 Uiso 1 1 calc R . .
H74C H 0.5448 1.8041 0.9642 0.166 Uiso 1 1 calc R . .
C82 C 0.7012(6) 1.1446(9) 0.6804(8) 0.100(5) Uani 1 1 d U . .
H82A H 0.7199 1.1628 0.7111 0.150 Uiso 1 1 calc R . .
H82B H 0.7139 1.1368 0.6496 0.150 Uiso 1 1 calc R . .
H82C H 0.6911 1.1032 0.6915 0.150 Uiso 1 1 calc R . .
C87 C 0.6375(6) 1.1673(9) 0.6149(8) 0.102(4) Uani 1 1 d U . .
H87A H 0.6167 1.1994 0.6043 0.154 Uiso 1 1 calc R . .
H87B H 0.6267 1.1263 0.6257 0.154 Uiso 1 1 calc R . .
H87C H 0.6499 1.1590 0.5839 0.154 Uiso 1 1 calc R . .
C48 C 0.6409(5) 0.9674(10) 0.7540(9) 0.144(6) Uani 1 1 d DU . .
H48A H 0.6601 0.9382 0.7434 0.215 Uiso 1 1 calc R . .
H48B H 0.6397 0.9596 0.7923 0.215 Uiso 1 1 calc R . .
H48C H 0.6481 1.0130 0.7493 0.215 Uiso 1 1 calc R . .
C92 C 0.7182(4) 1.4467(9) 0.7466(6) 0.083(4) Uani 1 1 d U . .
H92A H 0.7319 1.4604 0.7181 0.125 Uiso 1 1 calc R . .
H92B H 0.7102 1.4009 0.7407 0.125 Uiso 1 1 calc R . .
H92C H 0.7353 1.4512 0.7825 0.125 Uiso 1 1 calc R . .
C93 C 0.5801(6) 1.5520(11) 1.0468(8) 0.115(5) Uani 1 1 d U . .
H93A H 0.5709 1.5526 1.0812 0.172 Uiso 1 1 calc R . .
H93B H 0.6084 1.5496 1.0546 0.172 Uiso 1 1 calc R . .
H93C H 0.5695 1.5138 1.0253 0.172 Uiso 1 1 calc R . .
C95 C 0.6844(5) 1.2588(8) 0.6484(7) 0.089(4) Uani 1 1 d U . .
H95A H 0.7036 1.2742 0.6797 0.134 Uiso 1 1 calc R . .
H95B H 0.6638 1.2914 0.6391 0.134 Uiso 1 1 calc R . .
H95C H 0.6967 1.2522 0.6170 0.134 Uiso 1 1 calc R . .
C97 C 0.6672(5) 1.1939(8) 0.6628(7) 0.085(3) Uani 1 1 d U . .
C100 C 0.5677(5) 1.6115(10) 1.0161(6) 0.085(3) Uani 1 1 d U . .
C103 C 0.6130(4) 1.6881(9) 0.6914(7) 0.083(4) Uani 1 1 d U . .
H10A H 0.6295 1.6951 0.6648 0.125 Uiso 1 1 calc R . .
H10B H 0.6227 1.6506 0.7147 0.125 Uiso 1 1 calc R . .
H10C H 0.6134 1.7273 0.7141 0.125 Uiso 1 1 calc R . .
C50 C 0.5723(6) 1.0004(8) 0.7343(8) 0.112(3) Uani 1 1 d DU . .
C146 C 0.6955(6) 1.5605(9) 0.7562(8) 0.101(4) Uani 1 1 d U . .
H14A H 0.7094 1.5756 0.7284 0.151 Uiso 1 1 calc R . .
H14B H 0.7125 1.5629 0.7923 0.151 Uiso 1 1 calc R . .
H14C H 0.6728 1.5882 0.7556 0.151 Uiso 1 1 calc R . .
C150 C 0.5925(6) 1.6700(11) 1.0508(8) 0.117(5) Uani 1 1 d U . .
H15A H 0.5862 1.6724 1.0872 0.176 Uiso 1 1 calc R . .
H15B H 0.5860 1.7117 1.0318 0.176 Uiso 1 1 calc R . .
H15C H 0.6201 1.6612 1.0544 0.176 Uiso 1 1 calc R . .
O25 O 0.6191(5) 1.6644(12) 0.8478(11) 0.076(2) Uani 0.509(4) 1 d PDU . 1
O26 O 0.6775(6) 1.6276(14) 0.8806(9) 0.092(2) Uani 0.509(4) 1 d PDU . 1
C75 C 0.6552(6) 1.6764(11) 0.8635(13) 0.087(3) Uani 0.509(4) 1 d PDU . 1
C4 C 0.6682(6) 1.7458(12) 0.8682(9) 0.094(4) Uani 0.509(4) 1 d PDU . 1
C36 C 0.6470(9) 1.7843(16) 0.8190(13) 0.105(6) Uani 0.509(4) 1 d PDU . 1
H36A H 0.6533 1.7663 0.7855 0.157 Uiso 0.509(4) 1 calc PR . 1
H36B H 0.6548 1.8303 0.8227 0.157 Uiso 0.509(4) 1 calc PR . 1
H36C H 0.6191 1.7810 0.8170 0.157 Uiso 0.509(4) 1 calc PR . 1
C37 C 0.7110(8) 1.7509(18) 0.8698(13) 0.099(5) Uani 0.509(4) 1 d PDU . 1
H37A H 0.7168 1.7323 0.8363 0.148 Uiso 0.509(4) 1 calc PR . 1
H37B H 0.7251 1.7268 0.9015 0.148 Uiso 0.509(4) 1 calc PR . 1
H37C H 0.7187 1.7971 0.8727 0.148 Uiso 0.509(4) 1 calc PR . 1
C77 C 0.6588(9) 1.7754(18) 0.9197(13) 0.097(6) Uani 0.509(4) 1 d PDU . 1
H77A H 0.6726 1.7512 0.9517 0.146 Uiso 0.509(4) 1 calc PR . 1
H77B H 0.6310 1.7726 0.9182 0.146 Uiso 0.509(4) 1 calc PR . 1
H77C H 0.6669 1.8214 0.9226 0.146 Uiso 0.509(4) 1 calc PR . 1
O25' O 0.6284(6) 1.6452(13) 0.8531(11) 0.076(2) Uani 0.491(4) 1 d PDU . 2
O26' O 0.6824(7) 1.6111(14) 0.9019(10) 0.092(2) Uani 0.491(4) 1 d PDU . 2
C75' C 0.6625(7) 1.6600(14) 0.8787(12) 0.087(2) Uani 0.491(4) 1 d PDU . 2
C4' C 0.6815(6) 1.7251(14) 0.8881(9) 0.093(3) Uani 0.491(4) 1 d PDU . 2
C77' C 0.6749(10) 1.7497(19) 0.9407(13) 0.098(6) Uani 0.491(4) 1 d PDU . 2
H77D H 0.6869 1.7929 0.9481 0.146 Uiso 0.491(4) 1 calc PR . 2
H77E H 0.6862 1.7193 0.9699 0.146 Uiso 0.491(4) 1 calc PR . 2
H77F H 0.6470 1.7535 0.9393 0.146 Uiso 0.491(4) 1 calc PR . 2
C37' C 0.7228(8) 1.717(2) 0.8903(14) 0.111(6) Uani 0.491(4) 1 d PDU . 2
H37D H 0.7357 1.7595 0.8982 0.166 Uiso 0.491(4) 1 calc PR . 2
H37E H 0.7269 1.7009 0.8551 0.166 Uiso 0.491(4) 1 calc PR . 2
H37F H 0.7334 1.6859 0.9191 0.166 Uiso 0.491(4) 1 calc PR . 2
C36' C 0.6642(10) 1.7685(16) 0.8432(13) 0.101(5) Uani 0.491(4) 1 d PDU . 2
H36D H 0.6752 1.8125 0.8500 0.151 Uiso 0.491(4) 1 calc PR . 2
H36E H 0.6363 1.7704 0.8406 0.151 Uiso 0.491(4) 1 calc PR . 2
H36F H 0.6697 1.7516 0.8088 0.151 Uiso 0.491(4) 1 calc PR . 2
C127 C 0.7802(4) 1.2862(8) 0.8390(6) 0.112(3) Uani 0.509(4) 1 d PDU . 1
C39 C 0.8173(5) 1.3226(16) 0.8545(13) 0.118(6) Uani 0.509(4) 1 d PDU . 1
H39A H 0.8250 1.3393 0.8215 0.178 Uiso 0.509(4) 1 calc PR . 1
H39B H 0.8374 1.2931 0.8738 0.178 Uiso 0.509(4) 1 calc PR . 1
H39C H 0.8140 1.3593 0.8784 0.178 Uiso 0.509(4) 1 calc PR . 1
C2 C 0.7710(10) 1.2762(15) 0.7772(8) 0.127(6) Uani 0.509(4) 1 d PDU . 1
H2A H 0.7444 1.2610 0.7658 0.191 Uiso 0.509(4) 1 calc PR . 1
H2B H 0.7887 1.2435 0.7671 0.191 Uiso 0.509(4) 1 calc PR . 1
H2C H 0.7742 1.3178 0.7589 0.191 Uiso 0.509(4) 1 calc PR . 1
C3 C 0.7829(5) 1.2204(9) 0.8654(8) 0.120(4) Uani 0.509(4) 1 d PDU . 1
H3A H 0.8043 1.1958 0.8556 0.180 Uiso 0.509(4) 1 calc PR . 1
H3B H 0.7587 1.1965 0.8528 0.180 Uiso 0.509(4) 1 calc PR . 1
H3C H 0.7874 1.2256 0.9052 0.180 Uiso 0.509(4) 1 calc PR . 1
C227 C 0.7802(4) 1.2862(8) 0.8390(6) 0.112(3) Uani 0.491(4) 1 d PDU . 2
C2' C 0.7846(11) 1.2862(16) 0.7932(14) 0.127(6) Uani 0.491(4) 1 d PDU . 2
H2D H 0.7608 1.2717 0.7689 0.190 Uiso 0.491(4) 1 calc PR . 2
H2E H 0.8057 1.2564 0.7898 0.190 Uiso 0.491(4) 1 calc PR . 2
H2F H 0.7910 1.3306 0.7830 0.190 Uiso 0.491(4) 1 calc PR . 2
C39' C 0.8152(8) 1.3142(18) 0.8770(12) 0.115(6) Uani 0.491(4) 1 d PDU . 2
H39D H 0.8385 1.2919 0.8709 0.172 Uiso 0.491(4) 1 calc PR . 2
H39E H 0.8126 1.3077 0.9150 0.172 Uiso 0.491(4) 1 calc PR . 2
H39F H 0.8171 1.3611 0.8698 0.172 Uiso 0.491(4) 1 calc PR . 2
C3' C 0.7829(5) 1.2204(9) 0.8654(8) 0.120(4) Uani 0.491(4) 1 d PDU . 2
HD H 0.8048 1.1963 0.8565 0.180 Uiso 0.491(4) 1 calc PR . 2
HE H 0.7590 1.1960 0.8520 0.180 Uiso 0.491(4) 1 calc PR . 2
HF H 0.7867 1.2256 0.9052 0.180 Uiso 0.491(4) 1 calc PR . 2
C44 C 0.6034(6) 0.9644(11) 0.6598(8) 0.142(6) Uani 1 1 d DU . .
H44A H 0.6227 0.9351 0.6494 0.213 Uiso 1 1 calc R . .
H44B H 0.6104 1.0099 0.6541 0.213 Uiso 1 1 calc R . .
H44C H 0.5780 0.9549 0.6372 0.213 Uiso 1 1 calc R . .
C45 C 0.6022(5) 0.9540(7) 0.7187(7) 0.118(4) Uani 1 1 d DU . .
C43 C 0.5909(6) 0.8842(7) 0.7271(9) 0.135(6) Uani 1 1 d DU . .
H43A H 0.6098 0.8544 0.7164 0.202 Uiso 1 1 calc R . .
H43B H 0.5653 0.8755 0.7047 0.202 Uiso 1 1 calc R . .
H43C H 0.5902 0.8773 0.7657 0.202 Uiso 1 1 calc R . .
N1 N 0.5633(6) 1.4059(10) 0.7193(8) 0.053(3) Uani 0.50 1 d PU . 1
O31 O 0.5670(7) 1.3587(10) 0.6920(8) 0.061(4) Uani 0.50 1 d PU . 1
O32 O 0.5603(5) 1.4019(8) 0.7705(7) 0.055(2) Uani 0.50 1 d PU . 1
O33 O 0.5647(6) 1.4632(9) 0.7027(8) 0.052(3) Uani 0.50 1 d PU A 1
N2 N 0.4833(7) 1.3328(10) 0.8158(9) 0.059(3) Uani 0.50 1 d PU . 1
O28 O 0.5116(9) 1.3387(10) 0.8534(13) 0.059(3) Uani 0.50 1 d PU . 1
O29 O 0.4919(6) 1.3184(8) 0.7685(7) 0.058(3) Uani 0.50 1 d PU . 1
O30 O 0.4501(6) 1.3400(10) 0.8226(9) 0.063(4) Uani 0.50 1 d PU . 1
N1' N 0.5246(7) 1.4153(10) 0.8431(9) 0.057(3) Uani 0.50 1 d PU . 2
O31' O 0.5138(7) 1.4613(11) 0.8670(11) 0.061(4) Uani 0.50 1 d PU . 2
O32' O 0.5452(5) 1.4211(8) 0.8075(7) 0.055(2) Uani 0.50 1 d PU . 2
O33' O 0.5178(8) 1.3588(10) 0.8568(12) 0.057(3) Uani 0.50 1 d PU . 2
N2' N 0.5119(7) 1.4898(10) 0.6841(9) 0.053(3) Uani 0.50 1 d PU . 2
O28' O 0.4966(5) 1.5053(7) 0.7254(6) 0.050(3) Uani 0.50 1 d PU . 2
O29' O 0.5489(6) 1.4829(9) 0.6945(8) 0.050(3) Uani 0.50 1 d PU B 2
O30' O 0.4941(8) 1.4834(11) 0.6377(11) 0.063(5) Uani 0.50 1 d PU . 2
O8 O 0.6813(8) 1.4974(15) 0.9670(11) 0.099(3) Uani 0.509(4) 1 d PDU . 1
C42 C 0.7154(7) 1.5073(17) 0.9863(17) 0.105(3) Uani 0.509(4) 1 d PDU . 1
C32 C 0.7297(5) 1.5396(13) 1.0415(14) 0.111(3) Uani 0.509(4) 1 d PDU . 1
C51 C 0.7325(7) 1.4872(16) 1.0844(11) 0.112(6) Uani 0.509(4) 1 d PDU . 1
H51A H 0.7504 1.4531 1.0775 0.169 Uiso 0.509(4) 1 calc PR . 1
H51B H 0.7069 1.4680 1.0831 0.169 Uiso 0.509(4) 1 calc PR . 1
H51C H 0.7420 1.5064 1.1206 0.169 Uiso 0.509(4) 1 calc PR . 1
C40 C 0.6992(8) 1.5911(13) 1.0479(12) 0.117(6) Uani 0.509(4) 1 d PDU . 1
H40A H 0.6746 1.5693 1.0484 0.176 Uiso 0.509(4) 1 calc PR . 1
H40B H 0.6959 1.6218 1.0172 0.176 Uiso 0.509(4) 1 calc PR . 1
H40C H 0.7078 1.6150 1.0822 0.176 Uiso 0.509(4) 1 calc PR . 1
C41 C 0.7686(4) 1.5719(11) 1.0398(8) 0.125(4) Uani 0.509(4) 1 d PDU . 1
H41A H 0.7866 1.5387 1.0316 0.187 Uiso 0.509(4) 1 calc PR . 1
H41B H 0.7791 1.5920 1.0753 0.187 Uiso 0.509(4) 1 calc PR . 1
H41C H 0.7648 1.6056 1.0113 0.187 Uiso 0.509(4) 1 calc PR . 1
O8' O 0.6793(8) 1.5260(16) 0.9576(11) 0.098(3) Uani 0.491(4) 1 d PDU . 2
C51' C 0.7138(9) 1.551(2) 1.0800(11) 0.119(5) Uani 0.491(4) 1 d PDU . 2
H51D H 0.7227 1.5067 1.0909 0.179 Uiso 0.491(4) 1 calc PR . 2
H51E H 0.6856 1.5530 1.0744 0.179 Uiso 0.491(4) 1 calc PR . 2
H51F H 0.7252 1.5821 1.1087 0.179 Uiso 0.491(4) 1 calc PR . 2
C32' C 0.7261(6) 1.5686(17) 1.0282(13) 0.112(3) Uani 0.491(4) 1 d PDU . 2
C40' C 0.7113(10) 1.6355(14) 1.0136(15) 0.125(7) Uani 0.491(4) 1 d PDU . 2
H40D H 0.7220 1.6518 0.9828 0.188 Uiso 0.491(4) 1 calc PR . 2
H40E H 0.7190 1.6646 1.0450 0.188 Uiso 0.491(4) 1 calc PR . 2
H40F H 0.6831 1.6343 1.0031 0.188 Uiso 0.491(4) 1 calc PR . 2
C42' C 0.7118(7) 1.519(2) 0.9841(16) 0.106(3) Uani 0.491(4) 1 d PDU . 2
C41' C 0.7686(4) 1.5719(11) 1.0398(8) 0.125(4) Uani 0.491(4) 1 d PDU . 2
H41D H 0.7774 1.5837 1.0064 0.187 Uiso 0.491(4) 1 calc PR . 2
H41E H 0.7792 1.5291 1.0527 0.187 Uiso 0.491(4) 1 calc PR . 2
H41F H 0.7773 1.6050 1.0680 0.187 Uiso 0.491(4) 1 calc PR . 2
O2W O 0.6757(11) 1.0081(19) 1.0683(16) 0.177(15) Uiso 0.50 1 d P C 2
H2WA H 0.6614 0.9744 1.0645 0.212 Uiso 0.50 1 d PR C 2
H2WB H 0.6927 1.0132 1.0971 0.212 Uiso 0.50 1 d PR C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
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
O25 Yb1 O6 171.1(7) . 2_656
O25 Yb1 O13 94.5(7) . .
O6 Yb1 O13 94.5(4) 2_656 .
O25 Yb1 O10 90.4(8) . .
O6 Yb1 O10 91.3(3) 2_656 .
O13 Yb1 O10 78.5(4) . .
O25 Yb1 O3 81.6(7) . .
O6 Yb1 O3 90.3(3) 2_656 .
O13 Yb1 O3 155.0(4) . .
O10 Yb1 O3 76.8(3) . .
O25 Yb1 O2 87.3(7) . .
O6 Yb1 O2 86.5(3) 2_656 .
O13 Yb1 O2 135.2(4) . .
O10 Yb1 O2 146.3(3) . .
O3 Yb1 O2 69.6(3) . .
O25 Yb1 O25' 9.7(12) . .
O6 Yb1 O25' 161.9(7) 2_656 .
O13 Yb1 O25' 102.9(7) . .
O10 Yb1 O25' 87.5(7) . .
O3 Yb1 O25' 71.9(7) . .
O2 Yb1 O25' 84.6(6) . .
O25 Yb1 O4 100.7(8) . .
O6 Yb1 O4 81.7(3) 2_656 .
O13 Yb1 O4 75.8(4) . .
O10 Yb1 O4 152.7(3) . .
O3 Yb1 O4 129.2(3) . .
O2 Yb1 O4 59.9(3) . .
O25' Yb1 O4 107.1(7) . .
O25 Yb1 P1 98.4(7) . .
O6 Yb1 P1 79.1(2) 2_656 .
O13 Yb1 P1 106.4(3) . .
O10 Yb1 P1 169.4(3) . .
O3 Yb1 P1 98.6(2) . .
O2 Yb1 P1 29.8(2) . .
O25' Yb1 P1 100.2(6) . .
O4 Yb1 P1 30.6(2) . .
O25 Yb1 Co1 87.5(6) . .
O6 Yb1 Co1 83.8(2) 2_656 .
O13 Yb1 Co1 170.3(3) . .
O10 Yb1 Co1 111.0(3) . .
O3 Yb1 Co1 34.8(2) . .
O2 Yb1 Co1 35.3(2) . .
O25' Yb1 Co1 79.9(6) . .
O4 Yb1 Co1 94.4(2) . .
P1 Yb1 Co1 63.85(7) . .
O25 Yb1 Co2 122.6(7) . .
O6 Yb1 Co2 63.1(2) 2_656 .
O13 Yb1 Co2 57.0(4) . .
O10 Yb1 Co2 123.9(3) . .
O3 Yb1 Co2 144.3(2) . .
O2 Yb1 Co2 84.6(2) . .
O25' Yb1 Co2 131.3(7) . .
O4 Yb1 Co2 30.55(19) . .
P1 Yb1 Co2 55.40(7) . .
Co1 Yb1 Co2 114.12(4) . .
O25 Yb1 Yb2 48.4(7) . .
O6 Yb1 Yb2 124.2(2) 2_656 .
O13 Yb1 Yb2 130.5(4) . .
O10 Yb1 Yb2 71.7(3) . .
O3 Yb1 Yb2 34.8(2) . .
O2 Yb1 Yb2 81.9(2) . .
O25' Yb1 Yb2 38.9(7) . .
O4 Yb1 Yb2 133.5(2) . .
P1 Yb1 Yb2 110.05(6) . .
Co1 Yb1 Yb2 56.91(3) . .
Co2 Yb1 Yb2 164.07(2) . .
O8' Yb2 O7 90.0(10) . .
O8' Yb2 O11 76.7(8) . .
O7 Yb2 O11 93.6(4) . .
O8' Yb2 O3 152.1(8) . .
O7 Yb2 O3 83.9(3) . .
O11 Yb2 O3 76.6(3) . .
O8' Yb2 O26' 61.2(11) . .
O7 Yb2 O26' 149.4(7) . .
O11 Yb2 O26' 89.6(7) . .
O3 Yb2 O26' 126.3(7) . .
O8' Yb2 O5 137.0(8) . .
O7 Yb2 O5 86.9(3) . .
O11 Yb2 O5 146.2(3) . .
O3 Yb2 O5 69.9(3) . .
O26' Yb2 O5 106.7(6) . .
O8' Yb2 O25' 112.4(11) . .
O7 Yb2 O25' 155.7(6) . .
O11 Yb2 O25' 82.9(7) . .
O3 Yb2 O25' 71.9(5) . .
O26' Yb2 O25' 54.8(7) . .
O5 Yb2 O25' 83.0(6) . .
O8' Yb2 O45 77.4(8) . .
O7 Yb2 O45 84.2(4) . .
O11 Yb2 O45 154.1(4) . .
O3 Yb2 O45 128.6(3) . .
O26' Yb2 O45 79.8(7) . .
O5 Yb2 O45 59.7(3) . .
O25' Yb2 O45 109.1(6) . .
O8' Yb2 O8 13.8(14) . .
O7 Yb2 O8 76.5(8) . .
O11 Yb2 O8 80.7(7) . .
O3 Yb2 O8 148.8(7) . .
O26' Yb2 O8 74.0(10) . .
O5 Yb2 O8 131.7(7) . .
O25' Yb2 O8 126.1(9) . .
O45 Yb2 O8 73.6(7) . .
O8' Yb2 O26 75.5(10) . .
O7 Yb2 O26 161.3(5) . .
O11 Yb2 O26 94.5(6) . .
O3 Yb2 O26 114.4(5) . .
O26' Yb2 O26 14.4(8) . .
O5 Yb2 O26 95.6(6) . .
O25' Yb2 O26 42.5(7) . .
O45 Yb2 O26 81.1(6) . .
O8 Yb2 O26 88.2(9) . .
O8' Yb2 C75' 85.8(11) . .
O7 Yb2 C75' 175.2(6) . .
O11 Yb2 C75' 83.2(7) . .
O3 Yb2 C75' 98.9(5) . .
O26' Yb2 C75' 27.5(4) . .
O5 Yb2 C75' 97.7(7) . .
O25' Yb2 C75' 27.6(4) . .
O45 Yb2 C75' 97.0(7) . .
O8 Yb2 C75' 99.3(9) . .
O26 Yb2 C75' 17.4(7) . .
O8' Yb2 O25 115.9(10) . .
O7 Yb2 O25 150.2(5) . .
O11 Yb2 O25 79.3(6) . .
O3 Yb2 O25 66.4(4) . .
O26' Yb2 O25 60.1(7) . .
O5 Yb2 O25 83.6(6) . .
O25' Yb2 O25 6.1(8) . .
O45 Yb2 O25 114.4(5) . .
O8 Yb2 O25 129.6(9) . .
O26 Yb2 O25 48.3(4) . .
C75' Yb2 O25 32.6(7) . .
O22 Yb3 O9 169.2(7) . .
O22 Yb3 O16 101.5(8) . .
O9 Yb3 O16 88.7(4) . .
O22 Yb3 O34 82.0(10) . .
O9 Yb3 O34 90.6(7) . .
O16 Yb3 O34 150.4(4) . .
O22 Yb3 O19 89.9(7) . .
O9 Yb3 O19 95.4(4) . .
O16 Yb3 O19 77.9(4) . .
O34 Yb3 O19 72.7(4) . .
O22 Yb3 O14' 95.5(13) . .
O9 Yb3 O14' 83.3(11) . .
O16 Yb3 O14' 78.5(9) . .
O34 Yb3 O14' 130.8(9) . .
O19 Yb3 O14' 156.4(9) . .
O22 Yb3 O38' 32.4(9) . .
O9 Yb3 O38' 155.1(7) . .
O16 Yb3 O38' 71.3(7) . .
O34 Yb3 O38' 114.1(9) . .
O19 Yb3 O38' 94.9(7) . .
O14' Yb3 O38' 78.2(12) . .
O22 Yb3 O46 82.3(7) . .
O9 Yb3 O46 88.1(3) . .
O16 Yb3 O46 136.7(4) . .
O34 Yb3 O46 72.9(3) . .
O19 Yb3 O46 145.4(4) . .
O14' Yb3 O46 58.2(9) . .
O38' Yb3 O46 96.2(6) . .
O22 Yb3 O34' 83.7(10) . .
O9 Yb3 O34' 88.1(7) . .
O16 Yb3 O34' 156.8(6) . .
O34 Yb3 O34' 7.1(4) . .
O19 Yb3 O34' 79.6(5) . .
O14' Yb3 O34' 123.8(10) . .
O38' Yb3 O34' 116.1(9) . .
O46 Yb3 O34' 66.1(5) . .
O22 Yb3 O14 98.3(11) . .
O9 Yb3 O14 81.3(9) . .
O16 Yb3 O14 74.2(8) . .
O34 Yb3 O14 134.8(8) . .
O19 Yb3 O14 152.0(8) . .
O14' Yb3 O14 4.8(16) . .
O38' Yb3 O14 79.0(11) . .
O46 Yb3 O14 62.6(8) . .
O34' Yb3 O14 127.8(8) . .
O22 Yb3 O22' 18.4(9) . .
O9 Yb3 O22' 154.3(5) . .
O16 Yb3 O22' 115.1(6) . .
O34 Yb3 O22' 64.0(8) . .
O19 Yb3 O22' 81.4(6) . .
O14' Yb3 O22' 109.6(12) . .
O38' Yb3 O22' 50.1(6) . .
O46 Yb3 O22' 80.9(6) . .
O34' Yb3 O22' 66.2(8) . .
O14 Yb3 O22' 113.1(10) . .
O22 Yb3 C81' 8.6(8) . .
O9 Yb3 C81' 175.8(7) . .
O16 Yb3 C81' 92.9(6) . .
O34 Yb3 C81' 89.9(8) . .
O19 Yb3 C81' 88.8(7) . .
O14' Yb3 C81' 93.2(12) . .
O38' Yb3 C81' 24.3(4) . .
O46 Yb3 C81' 88.0(7) . .
O34' Yb3 C81' 91.9(8) . .
O14 Yb3 C81' 95.4(11) . .
O22' Yb3 C81' 25.8(3) . .
O38 Yb4 O36 152.9(9) . 2_656
O38 Yb4 O34 127.7(10) . .
O36 Yb4 O34 78.9(9) 2_656 .
O38 Yb4 O18 112.5(9) . .
O36 Yb4 O18 78.2(9) 2_656 .
O34 Yb4 O18 71.9(8) . .
O38 Yb4 O20 80.5(11) . .
O36 Yb4 O20 78.6(11) 2_656 .
O34 Yb4 O20 142.7(10) . .
O18 Yb4 O20 74.5(11) . .
O38 Yb4 O23 106.2(8) . .
O36 Yb4 O23 72.8(8) 2_656 .
O34 Yb4 O23 75.1(5) . .
O18 Yb4 O23 139.4(8) . .
O20 Yb4 O23 124.9(9) . .
O38 Yb4 O22 57.1(6) . .
O36 Yb4 O22 149.2(7) 2_656 .
O34 Yb4 O22 70.6(8) . .
O18 Yb4 O22 96.0(9) . .
O20 Yb4 O22 129.4(9) . .
O23 Yb4 O22 94.8(7) . .
O38 Yb4 O21 86.4(8) . .
O36 Yb4 O21 70.3(8) 2_656 .
O34 Yb4 O21 128.1(5) . .
O18 Yb4 O21 136.1(9) . .
O20 Yb4 O21 69.9(9) . .
O23 Yb4 O21 56.5(7) . .
O22 Yb4 O21 126.5(7) . .
O38 Yb4 C81 29.8(5) . .
O36 Yb4 C81 177.3(8) 2_656 .
O34 Yb4 C81 98.4(8) . .
O18 Yb4 C81 100.7(8) . .
O20 Yb4 C81 103.5(9) . .
O23 Yb4 C81 107.0(6) . .
O22 Yb4 C81 28.2(3) . .
O21 Yb4 C81 111.9(6) . .
O38 Yb4 P4 96.6(7) . .
O36 Yb4 P4 69.6(6) 2_656 .
O34 Yb4 P4 101.6(3) . .
O18 Yb4 P4 147.8(7) . .
O20 Yb4 P4 98.0(8) . .
O23 Yb4 P4 27.8(4) . .
O22 Yb4 P4 111.9(6) . .
O21 Yb4 P4 28.7(4) . .
C81 Yb4 P4 111.5(4) . .
O38 Yb4 Co3 120.6(7) . .
O36 Yb4 Co3 75.0(6) 2_656 .
O34 Yb4 Co3 39.47(15) . .
O18 Yb4 Co3 109.4(7) . .
O20 Yb4 Co3 151.7(8) . .
O23 Yb4 Co3 35.9(5) . .
O22 Yb4 Co3 78.7(4) . .
O21 Yb4 Co3 91.5(4) . .
C81 Yb4 Co3 103.2(4) . .
P4 Yb4 Co3 63.2(2) . .
O38 Yb4 Yb3 92.7(7) . .
O36 Yb4 Yb3 114.2(6) 2_656 .
O34 Yb4 Yb3 35.5(6) . .
O18 Yb4 Yb3 76.9(7) . .
O20 Yb4 Yb3 145.2(8) . .
O23 Yb4 Yb3 89.8(5) . .
O22 Yb4 Yb3 36.0(4) . .
O21 Yb4 Yb3 144.2(5) . .
C81 Yb4 Yb3 63.1(4) . .
P4 Yb4 Yb3 116.7(2) . .
Co3 Yb4 Yb3 58.46(7) . .
Yb3 O34 Yb4 108.9(12) . .
Yb3 O34 Co3 101.7(6) . .
Yb4 O34 Co3 101.1(6) . .
Yb3 O34 H34D 114.6 . .
Yb4 O34 H34D 114.6 . .
Co3 O34 H34D 114.6 . .
O22 C81 O38 129(2) . .
O22 C81 C90 114(2) . .
O38 C81 C90 116.6(9) . .
O22 C81 Yb4 81.6(17) . .
O38 C81 Yb4 50.9(10) . .
C90 C81 Yb4 155.2(9) . .
C81 C90 C85 107.2(12) . .
C81 C90 C91 108.2(14) . .
C85 C90 C91 112.2(12) . .
C81 C90 C88 109.3(9) . .
C85 C90 C88 110.9(13) . .
C91 C90 C88 109.0(11) . .
C81 O22 Yb3 155.8(15) . .
C81 O22 Yb4 70.2(15) . .
Yb3 O22 Yb4 96.4(10) . .
C81 O38 Yb4 99.3(14) . .
C90 C88 H88A 109.5 . .
C90 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C90 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C90 C85 H85A 109.5 . .
C90 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C90 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C90 C91 H91A 109.5 . .
C90 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C90 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
O36' Yb4' O20' 108.3(11) 2_656 .
O36' Yb4' O34' 93.7(9) 2_656 .
O20' Yb4' O34' 147.8(10) . .
O36' Yb4' O18' 109.9(9) 2_656 .
O20' Yb4' O18' 72.9(11) . .
O34' Yb4' O18' 77.7(8) . .
O36' Yb4' O21' 97.6(8) 2_656 .
O20' Yb4' O21' 76.1(10) . .
O34' Yb4' O21' 125.0(8) . .
O18' Yb4' O21' 143.6(8) . .
O36' Yb4' O22' 163.9(8) 2_656 .
O20' Yb4' O22' 87.3(11) . .
O34' Yb4' O22' 70.5(10) . .
O18' Yb4' O22' 70.2(9) . .
O21' Yb4' O22' 89.7(9) . .
O36' Yb4' O23' 102.7(8) 2_656 .
O20' Yb4' O23' 127.8(11) . .
O34' Yb4' O23' 66.1(8) . .
O18' Yb4' O23' 132.3(10) . .
O21' Yb4' O23' 58.8(8) . .
O22' Yb4' O23' 69.0(8) . .
O36' Yb4' P4' 92.0(6) 2_656 .
O20' Yb4' P4' 106.6(9) . .
O34' Yb4' P4' 95.4(5) . .
O18' Yb4' P4' 157.3(8) . .
O21' Yb4' P4' 30.8(5) . .
O22' Yb4' P4' 87.0(6) . .
O23' Yb4' P4' 30.9(6) . .
O36' Yb4' Co3 87.8(5) 2_656 .
O20' Yb4' Co3 162.0(10) . .
O34' Yb4' Co3 32.5(4) . .
O18' Yb4' Co3 109.7(7) . .
O21' Yb4' Co3 94.3(5) . .
O22' Yb4' Co3 77.4(6) . .
O23' Yb4' Co3 37.2(5) . .
P4' Yb4' Co3 63.7(2) . .
O36' Yb4' Co5 69.5(6) 2_656 .
O20' Yb4' Co5 62.7(9) . .
O34' Yb4' Co5 149.3(5) . .
O18' Yb4' Co5 131.5(7) . .
O21' Yb4' Co5 39.1(6) . .
O22' Yb4' Co5 123.2(6) . .
O23' Yb4' Co5 92.0(6) . .
P4' Yb4' Co5 61.1(3) . .
Co3 Yb4' Co5 118.54(12) . .
O36' Yb4' P4' 13.2(6) 2_656 2_656
O20' Yb4' P4' 101.2(10) . 2_656
O34' Yb4' P4' 104.4(7) . 2_656
O18' Yb4' P4' 119.3(7) . 2_656
O21' Yb4' P4' 85.1(7) . 2_656
O22' Yb4' P4' 168.7(6) . 2_656
O23' Yb4' P4' 99.8(6) . 2_656
P4' Yb4' P4' 83.4(3) . 2_656
Co3 Yb4' P4' 92.9(2) . 2_656
Co5 Yb4' P4' 56.4(2) . 2_656
O36' Yb4' Yb3 124.3(6) 2_656 .
O20' Yb4' Yb3 117.5(9) . .
O34' Yb4' Yb3 32.4(6) . .
O18' Yb4' Yb3 60.1(8) . .
O21' Yb4' Yb3 121.9(7) . .
O22' Yb4' Yb3 40.9(6) . .
O23' Yb4' Yb3 72.9(6) . .
P4' Yb4' Yb3 102.9(3) . .
Co3 Yb4' Yb3 54.72(7) . .
Co5 Yb4' Yb3 160.95(11) . .
P4' Yb4' Yb3 136.2(2) 2_656 .
Co3 O34' Yb4' 106.2(9) . .
Co3 O34' Yb3 106.6(10) . .
Yb4' O34' Yb3 115.3(11) . .
Co3 O34' H34E 109.5 . .
Yb4' O34' H34E 109.5 . .
Yb3 O34' H34E 109.5 . .
O38' C81' O22' 112(2) . .
O38' C81' C90' 119.0(19) . .
O22' C81' C90' 128(2) . .
O38' C81' Yb3 48.2(13) . .
O22' C81' Yb3 64.0(16) . .
C90' C81' Yb3 165.4(15) . .
C81' O22' Yb4' 164(2) . .
C81' O22' Yb3 90.2(17) . .
Yb4' O22' Yb3 102.4(8) . .
C81' O38' Yb3 107.5(17) . .
C81' C90' C85' 110.2(14) . .
C81' C90' C88' 111.8(12) . .
C85' C90' C88' 109.5(14) . .
C81' C90' C91' 107.4(15) . .
C85' C90' C91' 109.6(14) . .
C88' C90' C91' 108.3(13) . .
C90' C91' H91D 109.5 . .
C90' C91' H91E 109.5 . .
H91D C91' H91E 109.5 . .
C90' C91' H91F 109.5 . .
H91D C91' H91F 109.5 . .
H91E C91' H91F 109.5 . .
C90' C85' H85D 109.5 . .
C90' C85' H85E 109.5 . .
H85D C85' H85E 109.5 . .
C90' C85' H85F 109.5 . .
H85D C85' H85F 109.5 . .
H85E C85' H85F 109.5 . .
C90' C88' H88D 109.5 . .
C90' C88' H88E 109.5 . .
H88D C88' H88E 109.5 . .
C90' C88' H88F 109.5 . .
H88D C88' H88F 109.5 . .
H88E C88' H88F 109.5 . .
O2 Co1 O3 81.0(3) . .
O2 Co1 O5 96.4(4) . .
O3 Co1 O5 81.5(3) . .
O2 Co1 O29' 91.0(6) . .
O3 Co1 O29' 170.9(6) . .
O5 Co1 O29' 104.0(6) . .
O2 Co1 O28' 94.5(5) . 2_656
O3 Co1 O28' 89.6(5) . 2_656
O5 Co1 O28' 164.6(5) . 2_656
O29' Co1 O28' 86.5(7) . 2_656
O2 Co1 O33 103.0(6) . .
O3 Co1 O33 169.1(6) . .
O5 Co1 O33 87.9(6) . .
O29' Co1 O33 19.0(6) . .
O28' Co1 O33 100.1(7) 2_656 .
O2 Co1 O32' 159.0(5) . .
O3 Co1 O32' 91.0(5) . .
O5 Co1 O32' 101.7(6) . .
O29' Co1 O32' 94.9(7) . .
O28' Co1 O32' 65.8(6) 2_656 .
O33 Co1 O32' 88.4(7) . .
O2 Co1 O32 161.1(5) . .
O3 Co1 O32 117.8(5) . .
O5 Co1 O32 88.3(5) . .
O29' Co1 O32 70.1(7) . .
O28' Co1 O32 84.8(6) 2_656 .
O33 Co1 O32 58.7(7) . .
O32' Co1 O32 31.9(5) . .
O2 Co1 O28' 86.0(5) . .
O3 Co1 O28' 116.5(4) . .
O5 Co1 O28' 161.9(4) . .
O29' Co1 O28' 58.0(7) . .
O28' Co1 O28' 30.0(7) 2_656 .
O33 Co1 O28' 74.1(7) . .
O32' Co1 O28' 80.1(6) . .
O32 Co1 O28' 84.0(6) . .
O2 Co1 Yb2 94.7(3) . .
O3 Co1 Yb2 39.7(2) . .
O5 Co1 Yb2 42.7(2) . .
O29' Co1 Yb2 146.6(6) . .
O28' Co1 Yb2 125.6(4) 2_656 .
O33 Co1 Yb2 129.4(6) . .
O32' Co1 Yb2 91.4(5) . .
O32 Co1 Yb2 101.1(5) . .
O28' Co1 Yb2 155.1(4) . .
O2 Co1 Yb1 42.0(2) . .
O3 Co1 Yb1 39.6(2) . .
O5 Co1 Yb1 93.6(3) . .
O29' Co1 Yb1 131.8(5) . .
O28' Co1 Yb1 87.4(4) 2_656 .
O33 Co1 Yb1 145.0(5) . .
O32' Co1 Yb1 125.2(4) . .
O32 Co1 Yb1 156.2(4) . .
O28' Co1 Yb1 100.0(4) . .
Yb2 Co1 Yb1 65.90(3) . .
O12 Co2 O12 102(2) . 2_656
O12 Co2 O4 110.5(15) . .
O12 Co2 O4 116.3(16) 2_656 .
O12 Co2 O4 116.3(16) . 2_656
O12 Co2 O4 110.5(15) 2_656 2_656
O4 Co2 O4 101.6(5) . 2_656
O12 Co2 O12' 8.9(19) . .
O12 Co2 O12' 111.2(8) 2_656 .
O4 Co2 O12' 104.9(14) . .
O4 Co2 O12' 112.0(14) 2_656 .
O12 Co2 O12' 111.2(8) . 2_656
O12 Co2 O12' 8.9(19) 2_656 2_656
O4 Co2 O12' 112.0(14) . 2_656
O4 Co2 O12' 104.9(14) 2_656 2_656
O12' Co2 O12' 120(2) . 2_656
O12 Co2 Yb1 154.2(16) . 2_656
O12 Co2 Yb1 86.8(12) 2_656 2_656
O4 Co2 Yb1 86.0(3) . 2_656
O4 Co2 Yb1 38.7(3) 2_656 2_656
O12' Co2 Yb1 150.6(13) . 2_656
O12' Co2 Yb1 78.4(12) 2_656 2_656
O12 Co2 Yb1 86.8(12) . .
O12 Co2 Yb1 154.2(16) 2_656 .
O4 Co2 Yb1 38.7(3) . .
O4 Co2 Yb1 86.0(3) 2_656 .
O12' Co2 Yb1 78.4(11) . .
O12' Co2 Yb1 150.6(13) 2_656 .
Yb1 Co2 Yb1 95.45(6) 2_656 .
O34' Co3 O46 82.2(8) . .
O34' Co3 O23 83.7(9) . .
O46 Co3 O23 106.0(7) . .
O34' Co3 O28 172.3(9) . .
O46 Co3 O28 100.5(10) . .
O23 Co3 O28 88.6(8) . .
O34' Co3 O23' 81.4(10) . .
O46 Co3 O23' 89.5(8) . .
O23 Co3 O23' 16.6(9) . .
O28 Co3 O23' 91.3(9) . .
O34' Co3 O33' 174.5(9) . .
O46 Co3 O33' 93.4(9) . .
O23 Co3 O33' 100.8(8) . .
O28 Co3 O33' 12.8(9) . .
O23' Co3 O33' 102.0(9) . .
O34' Co3 O32 87.5(9) . .
O46 Co3 O32 93.0(6) . .
O23 Co3 O32 157.7(8) . .
O28 Co3 O32 99.5(8) . .
O23' Co3 O32 168.3(8) . .
O33' Co3 O32 89.3(8) . .
O34' Co3 O29 117.3(9) . .
O46 Co3 O29 160.3(5) . .
O23 Co3 O29 80.4(7) . .
O28 Co3 O29 60.6(10) . .
O23' Co3 O29 96.0(8) . .
O33' Co3 O29 66.9(9) . .
O32 Co3 O29 85.4(6) . .
O34' Co3 O34 2.5(16) . .
O46 Co3 O34 79.9(6) . .
O23 Co3 O34 83.4(7) . .
O28 Co3 O34 171.7(8) . .
O23' Co3 O34 80.4(8) . .
O33' Co3 O34 173.0(9) . .
O32 Co3 O34 88.8(8) . .
O29 Co3 O34 119.6(7) . .
O34' Co3 O29 89.1(10) . 2_656
O46 Co3 O29 161.9(5) . 2_656
O23 Co3 O29 88.7(8) . 2_656
O28 Co3 O29 90.2(10) . 2_656
O23' Co3 O29 105.0(8) . 2_656
O33' Co3 O29 94.1(10) . 2_656
O32 Co3 O29 70.6(6) . 2_656
O29 Co3 O29 30.8(7) . 2_656
O34 Co3 O29 91.6(8) . 2_656
O34' Co3 O32' 118.0(8) . .
O46 Co3 O32' 88.8(6) . .
O23 Co3 O32' 155.6(7) . .
O28 Co3 O32' 69.4(7) . .
O23' Co3 O32' 160.0(7) . .
O33' Co3 O32' 58.2(7) . .
O32 Co3 O32' 31.7(5) . .
O29 Co3 O32' 79.6(6) . .
O34 Co3 O32' 118.9(7) . .
O29 Co3 O32' 81.2(6) 2_656 .
O34' Co3 Yb4' 41.3(6) . .
O46 Co3 Yb4' 99.9(3) . .
O23 Co3 Yb4' 42.9(6) . .
O28 Co3 Yb4' 131.0(6) . .
O23' Co3 Yb4' 45.0(6) . .
O33' Co3 Yb4' 143.5(6) . .
O32 Co3 Yb4' 123.3(4) . .
O29 Co3 Yb4' 97.3(4) . .
O34 Co3 Yb4' 41.4(3) . .
O29 Co3 Yb4' 83.6(4) 2_656 .
O32' Co3 Yb4' 154.6(4) . .
O14 Co4 O17 112.9(12) . .
O14 Co4 O15 127.1(10) . .
O17 Co4 O15 101.7(6) . .
O14 Co4 O45 96.9(11) . .
O17 Co4 O45 110.0(4) . .
O15 Co4 O45 107.7(5) . .
O14 Co4 O14' 6.0(16) . .
O17 Co4 O14' 109.4(11) . .
O15 Co4 O14' 133.1(9) . .
O45 Co4 O14' 93.7(11) . .
O14 Co4 Yb2 82.5(12) . .
O17 Co4 Yb2 149.0(4) . .
O15 Co4 Yb2 87.8(4) . .
O45 Co4 Yb2 39.4(3) . .
O14' Co4 Yb2 83.1(10) . .
O21 Co5 O21 83.5(13) 2_656 .
O21 Co5 O24 118.2(15) 2_656 2_656
O21 Co5 O24 115.0(12) . 2_656
O21 Co5 O24 115.0(12) 2_656 .
O21 Co5 O24 118.2(15) . .
O24 Co5 O24 106(2) 2_656 .
O21 Co5 O24' 107.2(14) 2_656 2_656
O21 Co5 O24' 129.0(12) . 2_656
O24 Co5 O24' 16.9(18) 2_656 2_656
O24 Co5 O24' 102.3(8) . 2_656
O21 Co5 O24' 129.0(12) 2_656 .
O21 Co5 O24' 107.2(14) . .
O24 Co5 O24' 102.3(8) 2_656 .
O24 Co5 O24' 16.9(18) . .
O24' Co5 O24' 103(2) 2_656 .
O21 Co5 O21' 96.7(8) 2_656 .
O21 Co5 O21' 13.6(9) . .
O24 Co5 O21' 110.7(12) 2_656 .
O24 Co5 O21' 109.5(14) . .
O24' Co5 O21' 126.7(11) 2_656 .
O24' Co5 O21' 96.4(13) . .
O21 Co5 O21' 13.6(9) 2_656 2_656
O21 Co5 O21' 96.7(8) . 2_656
O24 Co5 O21' 109.5(14) 2_656 2_656
O24 Co5 O21' 110.7(12) . 2_656
O24' Co5 O21' 96.4(13) 2_656 2_656
O24' Co5 O21' 126.7(11) . 2_656
O21' Co5 O21' 110.1(10) . 2_656
O21 Co5 Yb4' 39.5(7) 2_656 2_656
O21 Co5 Yb4' 72.9(7) . 2_656
O24 Co5 Yb4' 87.7(12) 2_656 2_656
O24 Co5 Yb4' 153.6(11) . 2_656
O24' Co5 Yb4' 84.5(11) 2_656 2_656
O24' Co5 Yb4' 168.4(10) . 2_656
O21' Co5 Yb4' 85.1(5) . 2_656
O21' Co5 Yb4' 42.9(6) 2_656 2_656
O21 Co5 Yb4' 72.9(7) 2_656 .
O21 Co5 Yb4' 39.5(7) . .
O24 Co5 Yb4' 153.6(11) 2_656 .
O24 Co5 Yb4' 87.7(12) . .
O24' Co5 Yb4' 168.4(10) 2_656 .
O24' Co5 Yb4' 84.5(11) . .
O21' Co5 Yb4' 42.9(6) . .
O21' Co5 Yb4' 85.1(5) 2_656 .
Yb4' Co5 Yb4' 88.98(14) 2_656 .
O6 P1 O2 115.1(5) . .
O6 P1 O4 112.1(5) . .
O2 P1 O4 101.9(5) . .
O6 P1 C21 107.0(6) . .
O2 P1 C21 110.0(6) . .
O4 P1 C21 110.8(6) . .
O6 P1 Yb1 120.7(3) . .
O2 P1 Yb1 50.2(3) . .
O4 P1 Yb1 52.8(4) . .
C21 P1 Yb1 132.3(5) . .
O9 P2 O5 114.2(6) . .
O9 P2 O45 113.4(6) . .
O5 P2 O45 101.9(5) . .
O9 P2 C24 109.7(7) . .
O5 P2 C24 109.7(7) . .
O45 P2 C24 107.6(7) . .
O9 P2 Yb2 120.6(4) . .
O5 P2 Yb2 50.8(3) . .
O45 P2 Yb2 52.2(4) . .
C24 P2 Yb2 129.7(6) . .
O7 P3 O14 115(2) . .
O7 P3 O46 110.3(15) . .
O14 P3 O46 105.0(17) . .
O7 P3 C60 110.6(15) . .
O14 P3 C60 110.9(18) . .
O46 P3 C60 103.8(14) . .
O7 P3 Yb3 120.3(14) . .
O14 P3 Yb3 57.0(12) . .
O46 P3 Yb3 49.1(7) . .
C60 P3 Yb3 127.8(13) . .
O7 P3 Yb2 23.5(7) . .
O14 P3 Yb2 92.0(17) . .
O46 P3 Yb2 120.8(13) . .
C60 P3 Yb2 122.3(11) . .
Yb3 P3 Yb2 109.3(8) . .
O46 P3' O14' 98.6(18) . .
O46 P3' O7 118.6(18) . .
O14' P3' O7 112(2) . .
O46 P3' C60 113.9(17) . .
O14' P3' C60 109.0(18) . .
O7 P3' C60 104.9(14) . .
O46 P3' Yb3 51.1(9) . .
O14' P3' Yb3 48.7(12) . .
O7 P3' Yb3 121.6(14) . .
C60 P3' Yb3 132.8(14) . .
O36 P4 O23 114.2(13) . .
O36 P4 O21 113.2(14) . .
O23 P4 O21 100.1(13) . .
O36 P4 C55 108.1(11) . .
O23 P4 C55 110.4(11) . .
O21 P4 C55 110.9(10) . .
O36 P4 Yb4 130.1(9) . .
O23 P4 Yb4 47.1(8) . .
O21 P4 Yb4 53.0(9) . .
C55 P4 Yb4 121.8(7) . .
P4 O23 Co3 151.9(14) . .
P4 O23 Yb4 105.1(11) . .
Co3 O23 Yb4 99.9(8) . .
P4 O21 Co5 133.4(16) . .
P4 O21 Yb4 98.3(11) . .
Co5 O21 Yb4 119.6(9) . .
P4 O36 Yb4 145.8(14) . 2_656
C57 C55 C56 110.6(14) . .
C57 C55 C80 110.5(15) . .
C56 C55 C80 110.0(14) . .
C57 C55 P4 109.0(14) . .
C56 C55 P4 108.5(14) . .
C80 C55 P4 108.2(14) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 C80 H80A 109.5 . .
C55 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C55 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
O36' P4' O21' 113.6(15) . .
O36' P4' O23' 114.7(12) . .
O21' P4' O23' 101.0(14) . .
O36' P4' C55' 109.3(10) . .
O21' P4' C55' 107.3(10) . .
O23' P4' C55' 110.5(12) . .
O36' P4' Yb4' 108.7(9) . .
O21' P4' Yb4' 52.8(9) . .
O23' P4' Yb4' 54.5(9) . .
C55' P4' Yb4' 141.8(7) . .
O36' P4' Yb4' 19.0(8) . 2_656
O21' P4' Yb4' 94.7(11) . 2_656
O23' P4' Yb4' 120.0(9) . 2_656
C55' P4' Yb4' 119.1(7) . 2_656
Yb4' P4' Yb4' 96.6(3) . 2_656
P4' O23' Co3 139.0(14) . .
P4' O23' Yb4' 94.6(12) . .
Co3 O23' Yb4' 97.8(8) . .
P4' O21' Co5 122.9(14) . .
P4' O21' Yb4' 96.4(11) . .
Co5 O21' Yb4' 98.0(8) . .
P4' O36' Yb4' 147.8(13) . 2_656
C80' C55' C57' 111.2(15) . .
C80' C55' C56' 111.1(14) . .
C57' C55' C56' 110.8(14) . .
C80' C55' P4' 107.7(14) . .
C57' C55' P4' 108.0(14) . .
C56' C55' P4' 107.9(14) . .
C55' C80' H80D 109.5 . .
C55' C80' H80E 109.5 . .
H80D C80' H80E 109.5 . .
C55' C80' H80F 109.5 . .
H80D C80' H80F 109.5 . .
H80E C80' H80F 109.5 . .
C55' C57' H57D 109.5 . .
C55' C57' H57E 109.5 . .
H57D C57' H57E 109.5 . .
C55' C57' H57F 109.5 . .
H57D C57' H57F 109.5 . .
H57E C57' H57F 109.5 . .
C55' C56' H56D 109.5 . .
C55' C56' H56E 109.5 . .
H56D C56' H56E 109.5 . .
C55' C56' H56F 109.5 . .
H56D C56' H56F 109.5 . .
H56E C56' H56F 109.5 . .
P1 O2 Co1 148.8(6) . .
P1 O2 Yb1 100.0(4) . .
Co1 O2 Yb1 102.7(3) . .
Co1 O3 Yb2 105.3(3) . .
Co1 O3 Yb1 105.6(4) . .
Yb2 O3 Yb1 110.4(4) . .
Co1 O3 H3D 111.7 . .
Yb2 O3 H3D 111.7 . .
Yb1 O3 H3D 111.7 . .
P1 O4 Co2 125.6(6) . .
P1 O4 Yb1 96.7(4) . .
Co2 O4 Yb1 110.8(3) . .
P2 O5 Co1 145.0(6) . .
P2 O5 Yb2 99.1(5) . .
Co1 O5 Yb2 101.6(3) . .
P1 O6 Yb1 151.5(5) . 2_656
P3 O7 P3' 8.8(15) . .
P3 O7 Yb2 141.2(11) . .
P3' O7 Yb2 147.1(11) . .
P2 O9 Yb3 146.8(6) . .
C53 O10 Yb1 136.2(8) . .
P3' O46 P3 2.6(19) . .
P3' O46 Co3 145.5(12) . .
P3 O46 Co3 146.3(11) . .
P3' O46 Yb3 100.7(11) . .
P3 O46 Yb3 98.4(10) . .
Co3 O46 Yb3 103.9(4) . .
P2 O45 Co4 130.8(7) . .
P2 O45 Yb2 97.6(5) . .
Co4 O45 Yb2 108.6(4) . .
C50 O20 Yb4 150(3) . .
C50 O20' Yb4' 137(2) . .
C50 O24 Co5 115(2) . .
C50 O24' Co5 117(3) . .
C103 C21 C38 111.5(13) . .
C103 C21 C47 109.2(12) . .
C38 C21 C47 111.5(12) . .
C103 C21 P1 108.5(10) . .
C38 C21 P1 109.3(9) . .
C47 C21 P1 106.8(9) . .
C71 O13 Yb1 150.9(14) . .
C146 C24 C92 109.0(15) . .
C146 C24 C34 111.7(15) . .
C92 C24 C34 109.3(13) . .
C146 C24 P2 109.6(11) . .
C92 C24 P2 109.0(11) . .
C34 C24 P2 108.2(12) . .
P3 O14 Co4 132(2) . .
P3 O14 Yb3 92.4(13) . .
Co4 O14 Yb3 112.6(15) . .
P3' O14' Co4 126(2) . .
P3' O14' Yb3 100.7(15) . .
Co4 O14' Yb3 113.9(15) . .
C59 O16 Yb3 158.2(12) . .
C100 C27 H27A 109.5 . .
C100 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C100 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C53 O11 Yb2 139.8(9) . .
C74 C29 C46 112(2) . .
C74 C29 C71 109.4(15) . .
C46 C29 C71 107.5(14) . .
C74 C29 C61 109.7(15) . .
C46 C29 C61 111.0(16) . .
C71 C29 C61 107.5(18) . .
C59 O17 Co4 119.5(11) . .
C24 C34 H34A 109.5 . .
C24 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C24 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C63 O19 Yb3 138.6(10) . .
C63 O18 Yb4 122.9(18) . .
C63 O18' Yb4' 140(2) . .
C21 C38 H38A 109.5 . .
C21 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C21 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C42 O15 C42' 7(3) . .
C42 O15 Co4 110(2) . .
C42' O15 Co4 109.2(17) . .
C21 C47 H47A 109.5 . .
C21 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C21 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C29 C46 H46A 109.5 . .
C29 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C29 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C71 O12 Co2 120(2) . .
C71 O12' Co2 125(3) . .
O11 C53 O10 121.4(12) . .
O11 C53 C100 118.5(12) . .
O10 C53 C100 119.8(11) . .
C60 C54 H54B 108.6 . .
C60 C54 H54C 108.8 . .
H54B C54 H54C 107.4 . .
C60 C54 H54A 114.5 . .
H54B C54 H54A 108.7 . .
H54C C54 H54A 108.5 . .
C60 C58 H58A 109.5 . .
C60 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C60 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
O17 C59 O16 124.1(16) . .
O17 C59 C127 120.9(13) . .
O16 C59 C127 114.8(13) . .
C54 C60 C58 110.0(15) . .
C54 C60 C62 110.3(15) . .
C58 C60 C62 112.1(13) . .
C54 C60 P3 110.3(13) . .
C58 C60 P3 104.3(12) . .
C62 C60 P3 109.7(13) . .
C54 C60 P3' 106.4(12) . .
C58 C60 P3' 112.2(12) . .
C62 C60 P3' 105.6(12) . .
P3 C60 P3' 7.9(12) . .
C29 C61 H61A 109.5 . .
C29 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C29 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C60 C62 H62A 109.5 . .
C60 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C60 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O18' C63 O19 113(2) . .
O18' C63 O18 28.0(18) . .
O19 C63 O18 128.2(16) . .
O18' C63 C97 127(2) . .
O19 C63 C97 117.7(15) . .
O18 C63 C97 112.9(19) . .
O12' C71 O13 124(3) . .
O12' C71 O12 7(4) . .
O13 C71 O12 122.1(19) . .
O12' C71 C29 116(3) . .
O13 C71 C29 120(2) . .
O12 C71 C29 117(2) . .
C29 C74 H74A 109.5 . .
C29 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C29 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C97 C82 H82A 109.5 . .
C97 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C97 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C97 C87 H87A 109.5 . .
C97 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C97 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C24 C92 H92A 109.5 . .
C24 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C24 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
C100 C93 H93A 109.5 . .
C100 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C100 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C97 C95 H95A 109.5 . .
C97 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C97 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
C63 C97 C87 110.8(15) . .
C63 C97 C95 111.4(14) . .
C87 C97 C95 111.5(15) . .
C63 C97 C82 104.0(14) . .
C87 C97 C82 111.1(15) . .
C95 C97 C82 107.8(15) . .
C93 C100 C27 118.4(17) . .
C93 C100 C53 114.6(13) . .
C27 C100 C53 113.1(14) . .
C93 C100 C150 105.0(16) . .
C27 C100 C150 103.3(15) . .
C53 C100 C150 99.3(14) . .
C21 C103 H10A 109.5 . .
C21 C103 H10B 109.5 . .
H10A C103 H10B 109.5 . .
C21 C103 H10C 109.5 . .
H10A C103 H10C 109.5 . .
H10B C103 H10C 109.5 . .
O24' C50 O20 120(3) . .
O24' C50 O20' 130(3) . .
O20 C50 O20' 28(3) . .
O24' C50 O24 25(3) . .
O20 C50 O24 109(3) . .
O20' C50 O24 130(2) . .
O24' C50 C45 116(2) . .
O20 C50 C45 124(2) . .
O20' C50 C45 110.6(18) . .
O24 C50 C45 118.8(18) . .
C24 C146 H14A 109.5 . .
C24 C146 H14B 109.5 . .
H14A C146 H14B 109.5 . .
C24 C146 H14C 109.5 . .
H14A C146 H14C 109.5 . .
H14B C146 H14C 109.5 . .
C100 C150 H15A 109.5 . .
C100 C150 H15B 109.5 . .
H15A C150 H15B 109.5 . .
C100 C150 H15C 109.5 . .
H15A C150 H15C 109.5 . .
H15B C150 H15C 109.5 . .
C75 O25 Yb1 166(2) . .
C75 O25 Yb2 88.2(12) . .
Yb1 O25 Yb2 98.8(9) . .
C75 O26 Yb2 105.2(13) . .
O25 C75 O26 117.4(13) . .
O25 C75 C4 118.6(17) . .
O26 C75 C4 123.5(17) . .
O25 C75 Yb2 67.1(11) . .
O26 C75 Yb2 50.9(11) . .
C4 C75 Yb2 163.6(16) . .
C75 C4 C37 111.1(16) . .
C75 C4 C77 109.2(16) . .
C37 C4 C77 109.8(16) . .
C75 C4 C36 109.5(15) . .
C37 C4 C36 108.4(16) . .
C77 C4 C36 108.8(16) . .
C4 C36 H36A 109.5 . .
C4 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C4 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C4 C37 H37A 109.5 . .
C4 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C4 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C4 C77 H77A 109.5 . .
C4 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C4 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C75' O25' Yb1 150(2) . .
C75' O25' Yb2 92.2(19) . .
Yb1 O25' Yb2 102.3(9) . .
C75' O26' Yb2 97.6(18) . .
O25' C75' O26' 115(2) . .
O25' C75' C4' 130(2) . .
O26' C75' C4' 116(2) . .
O25' C75' Yb2 60.2(16) . .
O26' C75' Yb2 55.0(15) . .
C4' C75' Yb2 165.5(16) . .
C37' C4' C36' 110.8(17) . .
C37' C4' C77' 110.0(17) . .
C36' C4' C77' 111.2(17) . .
C37' C4' C75' 108.8(17) . .
C36' C4' C75' 108.5(17) . .
C77' C4' C75' 107.4(17) . .
C4' C77' H77D 109.5 . .
C4' C77' H77E 109.5 . .
H77D C77' H77E 109.5 . .
C4' C77' H77F 109.5 . .
H77D C77' H77F 109.5 . .
H77E C77' H77F 109.5 . .
C4' C37' H37D 109.5 . .
C4' C37' H37E 109.5 . .
H37D C37' H37E 109.5 . .
C4' C37' H37F 109.5 . .
H37D C37' H37F 109.5 . .
H37E C37' H37F 109.5 . .
C4' C36' H36D 109.5 . .
C4' C36' H36E 109.5 . .
H36D C36' H36E 109.5 . .
C4' C36' H36F 109.5 . .
H36D C36' H36F 109.5 . .
H36E C36' H36F 109.5 . .
C39 C127 C3 111.1(14) . .
C39 C127 C2 109.1(13) . .
C3 C127 C2 108.0(13) . .
C39 C127 C59 111.3(14) . .
C3 C127 C59 109.5(11) . .
C2 C127 C59 107.7(13) . .
C127 C39 H39A 109.5 . .
C127 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C127 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C127 C2 H2A 109.5 . .
C127 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C127 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C127 C3 H3A 109.5 . .
C127 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C127 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
H2D C2' H2E 109.5 . .
H2D C2' H2F 109.5 . .
H2E C2' H2F 109.5 . .
H39D C39' H39E 109.5 . .
H39D C39' H39F 109.5 . .
H39E C39' H39F 109.5 . .
C45 C44 H44A 109.5 . .
C45 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C45 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C44 C45 C48 110.5(12) . .
C44 C45 C43 109.4(12) . .
C48 C45 C43 109.2(12) . .
C44 C45 C50 108.7(12) . .
C48 C45 C50 109.5(12) . .
C43 C45 C50 109.5(11) . .
C45 C43 H43A 109.5 . .
C45 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C45 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
O31 N1 O33 123(2) . .
O31 N1 O32 123(2) . .
O33 N1 O32 113.6(18) . .
O31 N1 O30 21.9(14) . 2_656
O33 N1 O30 124.1(18) . 2_656
O32 N1 O30 118.9(17) . 2_656
O30 O31 N1 121(3) 2_656 .
O30 O31 N2 29(2) 2_656 2_656
N1 O31 N2 94.3(18) . 2_656
N1 O32 Co3 123.1(14) . .
N1 O32 Co1 89.0(12) . .
Co3 O32 Co1 147.7(8) . .
N1 O33 Co1 98.7(14) . .
O30 N2 O28 122(2) . .
O30 N2 O29 124(3) . .
O28 N2 O29 114(2) . .
O30 N2 O31 17.0(12) . 2_656
O28 N2 O31 133(2) . 2_656
O29 N2 O31 112(2) . 2_656
N2 O28 Co3 96.9(18) . .
O29 O29 N2 160(2) 2_656 .
O29 O29 Co3 78.1(19) 2_656 .
N2 O29 Co3 88.1(15) . .
O29 O29 Co3 71.1(18) 2_656 2_656
N2 O29 Co3 123.9(16) . 2_656
Co3 O29 Co3 147.9(7) . 2_656
O31 O30 N2 134(3) 2_656 .
O31 O30 N1 37(2) 2_656 2_656
N2 O30 N1 99.3(17) . 2_656
O31' N1' O33' 119(2) . .
O31' N1' O32' 124(2) . .
O33' N1' O32' 117(2) . .
O31' N1' O30' 12.2(18) . 2_656
O33' N1' O30' 126(2) . 2_656
O32' N1' O30' 116.6(19) . 2_656
O30' O31' N1' 139(6) 2_656 .
O30' O31' N2' 45(5) 2_656 2_656
N1' O31' N2' 94(2) . 2_656
N1' O32' Co1 125.9(14) . .
N1' O32' Co3 87.7(13) . .
Co1 O32' Co3 146.3(8) . .
N1' O33' Co3 96.9(16) . .
O30' N2' O29' 120(2) . .
O30' N2' O28' 124(2) . .
O29' N2' O28' 116(2) . .
O30' N2' O31' 18.1(15) . 2_656
O29' N2' O31' 122.5(19) . 2_656
O28' N2' O31' 119(2) . 2_656
O28' O28' N2' 141(2) 2_656 .
O28' O28' Co1 90.2(16) 2_656 2_656
N2' O28' Co1 126.0(15) . 2_656
O28' O28' Co1 59.8(15) 2_656 .
N2' O28' Co1 84.9(13) . .
Co1 O28' Co1 149.1(7) 2_656 .
N2' O29' Co1 100.9(14) . .
O31' O30' N2' 117(6) 2_656 .
O31' O30' N1' 29(5) 2_656 2_656
N2' O30' N1' 88.5(19) . 2_656
C42 O8 Yb2 137(3) . .
O15 C42 O8 115(4) . .
O15 C42 C32 116(2) . .
O8 C42 C32 123(2) . .
C51 C32 C42 107(2) . .
C51 C32 C41 113.3(17) . .
C42 C32 C41 107.2(17) . .
C51 C32 C40 111.1(17) . .
C42 C32 C40 106.2(18) . .
C41 C32 C40 111.1(18) . .
C32 C51 H51A 109.5 . .
C32 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C32 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C32 C40 H40A 109.5 . .
C32 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C32 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C32 C41 H41A 109.5 . .
C32 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C32 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C42' O8' Yb2 160(3) . .
C32' C51' H51D 109.5 . .
C32' C51' H51E 109.5 . .
H51D C51' H51E 109.5 . .
C32' C51' H51F 109.5 . .
H51D C51' H51F 109.5 . .
H51E C51' H51F 109.5 . .
C40' C32' C51' 107(2) . .
C40' C32' C42' 113(2) . .
C51' C32' C42' 111(2) . .
C32' C40' H40D 109.5 . .
C32' C40' H40E 109.5 . .
H40D C40' H40E 109.5 . .
C32' C40' H40F 109.5 . .
H40D C40' H40F 109.5 . .
H40E C40' H40F 109.5 . .
O8' C42' O15 122(4) . .
O8' C42' C32' 118(3) . .
O15 C42' C32' 119.7(19) . .
H2WA O2W H2WB 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O25 2.055(18) .
Yb1 O6 2.164(8) 2_656
Yb1 O13 2.182(10) .
Yb1 O10 2.214(9) .
Yb1 O3 2.284(9) .
Yb1 O2 2.367(8) .
Yb1 O25' 2.40(2) .
Yb1 O4 2.431(9) .
Yb1 P1 3.034(4) .
Yb1 Co1 3.4504(17) .
Yb1 Co2 3.6373(18) .
Yb1 Yb2 3.7473(10) .
Yb2 O8' 2.11(3) .
Yb2 O7 2.188(12) .
Yb2 O11 2.225(8) .
Yb2 O3 2.280(9) .
Yb2 O26' 2.29(3) .
Yb2 O5 2.382(9) .
Yb2 O25' 2.41(3) .
Yb2 O45 2.419(9) .
Yb2 O8 2.43(3) .
Yb2 O26 2.48(3) .
Yb2 C75' 2.77(3) .
Yb2 O25 2.84(2) .
Yb3 O22 2.137(19) .
Yb3 O9 2.176(10) .
Yb3 O16 2.214(12) .
Yb3 O34 2.218(18) .
Yb3 O19 2.249(10) .
Yb3 O14' 2.28(3) .
Yb3 O38' 2.33(2) .
Yb3 O46 2.361(9) .
Yb3 O34' 2.37(2) .
Yb3 O14 2.59(3) .
Yb3 O22' 2.68(3) .
Yb3 C81' 2.98(2) .
Yb4 O38 2.007(19) .
Yb4 O36 2.16(2) 2_656
Yb4 O34 2.223(18) .
Yb4 O18 2.28(2) .
Yb4 O20 2.32(3) .
Yb4 O23 2.43(2) .
Yb4 O22 2.68(3) .
Yb4 O21 2.59(3) .
Yb4 C81 2.55(2) .
Yb4 P4 3.204(12) .
Yb4 Co3 3.435(4) .
O34 Co3 2.225(4) .
O34 H34D 1.0000 .
C81 O22 1.283(10) .
C81 O38 1.285(10) .
C81 C90 1.497(9) .
C90 C85 1.514(9) .
C90 C91 1.539(19) .
C90 C88 1.551(18) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
Yb4' O36' 2.16(3) 2_656
Yb4' O20' 2.20(3) .
Yb4' O34' 2.36(2) .
Yb4' O18' 2.38(3) .
Yb4' O21' 2.40(2) .
Yb4' O22' 2.44(2) .
Yb4' O23' 2.44(2) .
Yb4' P4' 2.994(11) .
Yb4' Co3 3.427(4) .
Yb4' Co5 3.491(5) .
Yb4' P4' 3.540(12) 2_656
O34' Co3 1.917(16) .
O34' H34E 1.0000 .
C81' O38' 1.285(10) .
C81' O22' 1.298(10) .
C81' C90' 1.492(10) .
C90' C85' 1.511(9) .
C90' C88' 1.520(19) .
C90' C91' 1.540(19) .
C91' H91D 0.9800 .
C91' H91E 0.9800 .
C91' H91F 0.9800 .
C85' H85D 0.9800 .
C85' H85E 0.9800 .
C85' H85F 0.9800 .
C88' H88D 0.9800 .
C88' H88E 0.9800 .
C88' H88F 0.9800 .
Co1 O2 2.044(8) .
Co1 O3 2.043(8) .
Co1 O5 2.048(9) .
Co1 O29' 2.069(19) .
Co1 O28' 2.083(17) 2_656
Co1 O33 2.090(18) .
Co1 O32' 2.163(17) .
Co1 O32 2.260(17) .
Co1 O28' 2.411(17) .
Co2 O12 1.83(4) .
Co2 O12 1.83(4) 2_656
Co2 O4 1.977(9) .
Co2 O4 1.977(9) 2_656
Co2 O12' 2.06(4) .
Co2 O12' 2.06(4) 2_656
Co2 Yb1 3.6372(18) 2_656
Co3 O46 2.004(11) .
Co3 O23 2.04(2) .
Co3 O28 2.04(2) .
Co3 O23' 2.09(2) .
Co3 O33' 2.10(2) .
Co3 O32 2.169(16) .
Co3 O29 2.18(2) .
Co3 O29 2.26(2) 2_656
Co3 O32' 2.281(16) .
Co4 O14 1.85(4) .
Co4 O17 1.957(11) .
Co4 O15 1.987(13) .
Co4 O45 2.015(11) .
Co4 O14' 2.16(4) .
Co5 O21 1.80(2) 2_656
Co5 O21 1.80(2) .
Co5 O24 1.88(3) 2_656
Co5 O24 1.88(3) .
Co5 O24' 2.05(3) 2_656
Co5 O24' 2.05(3) .
Co5 O21' 2.22(3) .
Co5 O21' 2.22(3) 2_656
Co5 Yb4' 3.491(5) 2_656
P1 O6 1.506(9) .
P1 O2 1.532(9) .
P1 O4 1.554(9) .
P1 C21 1.816(12) .
P2 O9 1.517(11) .
P2 O5 1.538(9) .
P2 O45 1.538(11) .
P2 C24 1.823(15) .
P3 O7 1.46(3) .
P3 O14 1.57(4) .
P3 O46 1.68(2) .
P3 C60 1.83(3) .
P3' O46 1.43(2) .
P3' O14' 1.54(4) .
P3' O7 1.56(3) .
P3' C60 1.85(3) .
P4 O36 1.541(17) .
P4 O23 1.547(17) .
P4 O21 1.554(16) .
P4 C55 1.80(3) .
O36 Yb4 2.16(2) 2_656
C55 C57 1.52(2) .
C55 C56 1.53(2) .
C55 C80 1.53(2) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
P4' O36' 1.52(3) .
P4' O21' 1.54(2) .
P4' O23' 1.54(3) .
P4' C55' 1.84(3) .
P4' Yb4' 3.540(12) 2_656
O36' Yb4' 2.16(3) 2_656
C55' C80' 1.54(2) .
C55' C57' 1.55(2) .
C55' C56' 1.55(2) .
C80' H80D 0.9800 .
C80' H80E 0.9800 .
C80' H80F 0.9800 .
C57' H57D 0.9800 .
C57' H57E 0.9800 .
C57' H57F 0.9800 .
C56' H56D 0.9800 .
C56' H56E 0.9800 .
C56' H56F 0.9800 .
O3 H3D 1.0000 .
O6 Yb1 2.164(8) 2_656
O10 C53 1.292(9) .
O20 C50 1.21(3) .
O20' C50 1.36(4) .
O24 C50 1.40(4) .
O24' C50 1.17(4) .
C21 C103 1.52(2) .
C21 C38 1.531(19) .
C21 C47 1.55(2) .
O13 C71 1.26(2) .
C24 C146 1.53(2) .
C24 C92 1.53(2) .
C24 C34 1.53(2) .
O16 C59 1.257(14) .
C27 C100 1.45(2) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
O11 C53 1.286(9) .
C29 C74 1.47(3) .
C29 C46 1.50(2) .
C29 C71 1.54(2) .
C29 C61 1.57(3) .
O17 C59 1.253(14) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
O19 C63 1.25(2) .
O18 C63 1.37(3) .
O18' C63 1.16(3) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
O15 C42 1.20(2) .
O15 C42' 1.43(4) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
O12 C71 1.44(4) .
O12' C71 1.09(4) .
C53 C100 1.499(19) .
C54 C60 1.499(10) .
C54 H54B 0.9584 .
C54 H54C 0.9556 .
C54 H54A 0.9574 .
C58 C60 1.499(10) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C127 1.53(2) .
C60 C62 1.502(9) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C97 1.508(19) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C82 C97 1.56(2) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C87 C97 1.53(3) .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C48 C45 1.495(17) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C93 C100 1.46(3) .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C95 C97 1.53(2) .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C100 C150 1.63(3) .
C103 H10A 0.9800 .
C103 H10B 0.9800 .
C103 H10C 0.9800 .
C50 C45 1.53(2) .
C146 H14A 0.9800 .
C146 H14B 0.9800 .
C146 H14C 0.9800 .
C150 H15A 0.9800 .
C150 H15B 0.9800 .
C150 H15C 0.9800 .
O25 C75 1.283(9) .
O26 C75 1.288(9) .
C75 C4 1.488(10) .
C4 C37 1.51(2) .
C4 C77 1.52(2) .
C4 C36 1.52(2) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
O25' C75' 1.284(10) .
O26' C75' 1.290(10) .
C75' C4' 1.487(10) .
C4' C37' 1.46(3) .
C4' C36' 1.46(3) .
C4' C77' 1.47(3) .
C77' H77D 0.9800 .
C77' H77E 0.9800 .
C77' H77F 0.9800 .
C37' H37D 0.9800 .
C37' H37E 0.9800 .
C37' H37F 0.9800 .
C36' H36D 0.9800 .
C36' H36E 0.9800 .
C36' H36F 0.9800 .
C127 C39 1.489(10) .
C127 C3 1.494(17) .
C127 C2 1.526(18) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C2' H2D 0.9800 .
C2' H2E 0.9800 .
C2' H2F 0.9800 .
C39' H39D 0.9800 .
C39' H39E 0.9800 .
C39' H39F 0.9800 .
C44 C45 1.497(17) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C43 1.508(17) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
N1 O31 1.20(3) .
N1 O33 1.25(3) .
N1 O32 1.31(2) .
N1 O30 1.71(3) 2_656
O31 O30 0.75(2) 2_656
O31 N2 1.83(3) 2_656
N2 O30 1.23(3) .
N2 O28 1.23(4) .
N2 O29 1.31(3) .
N2 O31 1.83(3) 2_656
O29 O29 1.18(3) 2_656
O29 Co3 2.26(2) 2_656
O30 O31 0.75(2) 2_656
O30 N1 1.71(3) 2_656
N1' O31' 1.22(3) .
N1' O33' 1.24(3) .
N1' O32' 1.26(2) .
N1' O30' 1.65(3) 2_656
O31' O30' 0.53(3) 2_656
O31' N2' 1.53(3) 2_656
N2' O30' 1.21(3) .
N2' O29' 1.29(3) .
N2' O28' 1.30(2) .
N2' O31' 1.53(3) 2_656
O28' O28' 1.20(3) 2_656
O28' Co1 2.083(17) 2_656
O30' O31' 0.53(3) 2_656
O30' N1' 1.65(3) 2_656
O8 C42 1.22(2) .
C42 C32 1.52(6) .
C32 C51 1.504(9) .
C32 C41 1.533(19) .
C32 C40 1.537(19) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
O8' C42' 1.21(2) .
C51' C32' 1.489(10) .
C51' H51D 0.9800 .
C51' H51E 0.9800 .
C51' H51F 0.9800 .
C32' C40' 1.48(2) .
C32' C42' 1.50(6) .
C40' H40D 0.9800 .
C40' H40E 0.9800 .
C40' H40F 0.9800 .
O2W H2WA 0.8461 .
O2W H2WB 0.8465 .
