#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:15:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178943 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/72/4117270.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_4117270
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            'C104 H214 Co6 N0 O62 P6 Yb8'
_chemical_formula_weight         4380.47
_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                 105.099(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.595(4)
_cell_length_b                   16.662(2)
_cell_length_c                   33.908(4)
_cell_measurement_temperature    100(2)
_cell_volume                     16143(3)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0802
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            94954
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    5.319
_exptl_absorpt_correction_T_max  0.4159
_exptl_absorpt_correction_T_min  0.1649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_description       plate
_exptl_crystal_F_000             8584
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.739
_refine_diff_density_min         -2.764
_refine_diff_density_rms         0.349
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     911
_refine_ls_number_reflns         11475
_refine_ls_number_restraints     1107
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.1098
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0689P)²+3301.4915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2611
_refine_ls_wR_factor_ref         0.2696
_reflns_number_gt                9949
_reflns_number_total             11475
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja208367k_si_003.cif
_cod_data_source_block           coybm
_cod_original_cell_volume        16143(4)
_cod_database_code               4117270
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 0.50451(4) 0.53226(6) 0.19553(3) 0.0293(3) Uani 1 1 d U . .
Yb2 Yb 0.38981(4) 0.81130(6) 0.27804(3) 0.0270(3) Uani 1 1 d U . .
Yb3 Yb 0.38923(4) 0.80321(6) 0.16085(3) 0.0269(3) Uani 1 1 d U A .
Yb4 Yb 0.45344(4) 0.77005(8) 0.07865(4) 0.0425(3) Uani 1 1 d U A .
Co1 Co 0.44452(10) 0.66990(17) 0.23400(9) 0.0190(6) Uani 1 1 d U . .
Co2 Co 0.51439(15) 0.6178(3) 0.04704(11) 0.0539(11) Uani 1 1 d U . .
Co3 Co 0.56999(10) 0.76110(18) 0.10839(8) 0.0191(6) Uani 1 1 d U . .
P1 P 0.4057(2) 0.6319(4) 0.1365(2) 0.0354(13) Uani 1 1 d U . .
P2 P 0.3962(2) 0.6408(4) 0.3085(2) 0.0343(13) Uani 1 1 d U . .
P3 P 0.5047(2) 0.8701(4) 0.15226(18) 0.0253(11) Uani 1 1 d U . .
O1 O 0.5020(5) 0.6675(8) 0.2113(4) 0.020(2) Uani 1 1 d U . .
H1A H 0.5036 0.7073 0.1896 0.024 Uiso 1 1 calc R . .
O2 O 0.4547(6) 0.5457(9) 0.2370(5) 0.029(3) Uani 1 1 d U . .
H2D H 0.4253 0.5131 0.2286 0.035 Uiso 1 1 calc R . .
O3 O 0.4286(5) 0.7925(9) 0.2276(4) 0.021(2) Uani 1 1 d U A .
H3D H 0.4580 0.8252 0.2335 0.025 Uiso 1 1 calc R . .
O4 O 0.5112(6) 0.6771(11) 0.0968(5) 0.036(2) Uani 1 1 d U . .
H4D H 0.5097 0.6426 0.1206 0.044 Uiso 1 1 calc R . .
O5 O 0.3972(5) 0.6696(10) 0.1754(5) 0.029(2) Uani 1 1 d U A .
O6 O 0.4085(6) 0.7053(10) 0.1100(5) 0.034(2) Uani 1 1 d U A .
O7 O 0.4469(6) 0.5776(10) 0.1430(5) 0.036(3) Uani 1 1 d U A .
O8 O 0.3935(5) 0.6742(9) 0.2652(5) 0.026(2) Uani 1 1 d U A .
O9 O 0.3996(6) 0.7175(10) 0.3334(5) 0.036(3) Uani 1 1 d U . .
O10 O 0.4535(6) 0.8372(10) 0.1451(5) 0.032(2) Uani 1 1 d U . .
O11 O 0.5169(6) 0.8401(10) 0.1146(5) 0.034(2) Uani 1 1 d U . .
O12 O 0.3907(7) 0.8379(14) 0.0550(5) 0.051(3) Uani 1 1 d U . .
O13 O 0.3493(8) 0.8528(14) 0.1008(6) 0.058(4) Uani 1 1 d U . .
O14 O 0.3797(6) 0.9281(10) 0.1821(5) 0.040(3) Uani 1 1 d U . .
O15 O 0.3830(7) 0.9330(10) 0.2481(5) 0.040(3) Uani 1 1 d U . .
O16 O 0.3209(6) 0.7834(13) 0.1733(6) 0.049(3) Uani 1 1 d U . .
O17 O 0.3177(6) 0.7977(13) 0.2377(6) 0.048(3) Uani 1 1 d U . .
O18 O 0.3618(9) 0.8757(13) 0.3226(6) 0.066(6) Uani 1 1 d U . .
O19 O 0.4720(19) 0.403(2) 0.1829(15) 0.060(5) Uani 0.502(19) 1 d PU A 1
O20 O 0.503(3) 0.446(3) 0.1427(17) 0.057(4) Uani 0.502(19) 1 d PU A 1
C48 C 0.4735(18) 0.388(3) 0.1532(16) 0.062(4) Uani 0.502(19) 1 d PDU A 1
C49 C 0.4551(13) 0.311(2) 0.1312(12) 0.071(6) Uani 0.502(19) 1 d PDU A 1
C50 C 0.485(2) 0.245(3) 0.1559(18) 0.079(8) Uani 0.502(19) 1 d PDU A 1
H50A H 0.5183 0.2557 0.1576 0.118 Uiso 0.502(19) 1 calc PR A 1
H50B H 0.4763 0.1931 0.1426 0.118 Uiso 0.502(19) 1 calc PR A 1
H50C H 0.4807 0.2437 0.1835 0.118 Uiso 0.502(19) 1 calc PR A 1
C51 C 0.4039(14) 0.307(4) 0.1322(19) 0.079(9) Uani 0.502(19) 1 d PDU A 1
H51A H 0.3899 0.2571 0.1193 0.118 Uiso 0.502(19) 1 calc PR A 1
H51B H 0.3869 0.3530 0.1173 0.118 Uiso 0.502(19) 1 calc PR A 1
H51C H 0.4019 0.3086 0.1606 0.118 Uiso 0.502(19) 1 calc PR A 1
C52 C 0.462(2) 0.321(4) 0.0883(13) 0.081(9) Uani 0.502(19) 1 d PDU A 1
H52A H 0.4950 0.3263 0.0900 0.121 Uiso 0.502(19) 1 calc PR A 1
H52B H 0.4450 0.3691 0.0757 0.121 Uiso 0.502(19) 1 calc PR A 1
H52C H 0.4491 0.2738 0.0718 0.121 Uiso 0.502(19) 1 calc PR A 1
O2W O 0.5642(19) 0.417(3) 0.2191(15) 0.065(7) Uani 0.502(19) 1 d PU A 1
H2WA H 0.5944 0.4215 0.2142 0.078 Uiso 0.502(19) 1 d PR A 1
H2WB H 0.5556 0.3702 0.2308 0.078 Uiso 0.502(19) 1 d PR A 1
O19' O 0.5395(19) 0.411(3) 0.2113(12) 0.064(5) Uani 0.498(19) 1 d PDU A 2
O20' O 0.507(3) 0.429(3) 0.1443(15) 0.058(4) Uani 0.498(19) 1 d PDU A 2
C48' C 0.5252(18) 0.387(2) 0.1752(11) 0.063(4) Uani 0.498(19) 1 d PDU A 2
C49' C 0.5375(13) 0.301(2) 0.1679(10) 0.069(6) Uani 0.498(19) 1 d PDU A 2
C50' C 0.512(2) 0.275(3) 0.1250(13) 0.077(8) Uani 0.498(19) 1 d PDU A 2
H50D H 0.5150 0.2171 0.1222 0.115 Uiso 0.498(19) 1 calc PR A 2
H50E H 0.5247 0.3031 0.1050 0.115 Uiso 0.498(19) 1 calc PR A 2
H50F H 0.4783 0.2887 0.1200 0.115 Uiso 0.498(19) 1 calc PR A 2
C51' C 0.524(2) 0.246(3) 0.1985(17) 0.077(8) Uani 0.498(19) 1 d PDU A 2
H51D H 0.5260 0.1899 0.1904 0.116 Uiso 0.498(19) 1 calc PR A 2
H51E H 0.4915 0.2576 0.1992 0.116 Uiso 0.498(19) 1 calc PR A 2
H51F H 0.5449 0.2548 0.2257 0.116 Uiso 0.498(19) 1 calc PR A 2
C52' C 0.5899(14) 0.293(4) 0.1726(19) 0.075(9) Uani 0.498(19) 1 d PDU A 2
H52D H 0.5979 0.2369 0.1703 0.113 Uiso 0.498(19) 1 calc PR A 2
H52E H 0.6069 0.3140 0.1995 0.113 Uiso 0.498(19) 1 calc PR A 2
H52F H 0.5985 0.3246 0.1512 0.113 Uiso 0.498(19) 1 calc PR A 2
O2W' O 0.4493(19) 0.419(2) 0.1903(15) 0.062(5) Uani 0.498(19) 1 d PU A 2
H2WC H 0.4234 0.4262 0.1963 0.074 Uiso 0.498(19) 1 d PR A 2
H2WD H 0.4549 0.3746 0.1803 0.074 Uiso 0.498(19) 1 d PR A 2
O22 O 0.4367(6) 0.5826(10) 0.3251(5) 0.038(3) Uani 1 1 d U . .
O23 O 0.4698(8) 0.6339(16) -0.0086(6) 0.072(4) Uani 1 1 d U . .
O24 O 0.4251(7) 0.6823(16) 0.0290(6) 0.069(3) Uani 1 1 d U . .
O25 O 0.5765(8) 0.6069(16) 0.0344(7) 0.068(4) Uani 1 1 d U . .
O26 O 0.6142(8) 0.6790(16) 0.0872(7) 0.067(4) Uani 1 1 d U . .
O27 O 0.5385(8) 0.7749(16) 0.0415(6) 0.065(3) Uani 1 1 d U . .
O28 O 0.4730(8) 0.8346(16) 0.0278(6) 0.070(3) Uani 1 1 d U . .
O29 O 0.6199(7) 0.8404(14) 0.1112(6) 0.056(4) Uani 1 1 d U . .
O30 O 0.5343(6) 0.8403(10) 0.1923(5) 0.036(3) Uani 1 1 d U . .
O1W O 0.4939(9) 0.5042(15) 0.0598(9) 0.082(6) Uani 1 1 d U . .
H31D H 0.4723 0.4970 0.0717 0.099 Uiso 1 1 d R . .
H31E H 0.5080 0.4644 0.0530 0.099 Uiso 1 1 d R . .
C1 C 0.3534(11) 0.577(2) 0.1122(9) 0.056(5) Uani 1 1 d U A .
C2 C 0.3136(11) 0.636(2) 0.0962(11) 0.068(7) Uani 1 1 d U . .
H2A H 0.2852 0.6066 0.0824 0.102 Uiso 1 1 calc R A .
H2B H 0.3222 0.6729 0.0769 0.102 Uiso 1 1 calc R . .
H2C H 0.3078 0.6665 0.1191 0.102 Uiso 1 1 calc R . .
C3 C 0.3630(11) 0.531(2) 0.0754(9) 0.059(6) Uani 1 1 d U . .
H3A H 0.3350 0.5002 0.0616 0.088 Uiso 1 1 calc R A .
H3B H 0.3892 0.4936 0.0853 0.088 Uiso 1 1 calc R . .
H3C H 0.3708 0.5689 0.0563 0.088 Uiso 1 1 calc R . .
C4 C 0.3444(12) 0.513(2) 0.1414(10) 0.069(7) Uani 1 1 d U . .
H4A H 0.3164 0.4828 0.1281 0.103 Uiso 1 1 calc R A .
H4B H 0.3398 0.5396 0.1660 0.103 Uiso 1 1 calc R . .
H4C H 0.3714 0.4772 0.1491 0.103 Uiso 1 1 calc R . .
C5 C 0.3411(11) 0.589(2) 0.3056(11) 0.066(6) Uani 1 1 d U A .
C6 C 0.3283(12) 0.543(2) 0.2680(11) 0.072(7) Uani 1 1 d U . .
H6A H 0.2989 0.5144 0.2664 0.109 Uiso 1 1 calc R A .
H6B H 0.3531 0.5044 0.2677 0.109 Uiso 1 1 calc R . .
H6C H 0.3241 0.5794 0.2446 0.109 Uiso 1 1 calc R . .
C7 C 0.3047(10) 0.656(2) 0.3101(11) 0.066(7) Uani 1 1 d U . .
H7A H 0.2746 0.6303 0.3096 0.099 Uiso 1 1 calc R A .
H7B H 0.3004 0.6940 0.2876 0.099 Uiso 1 1 calc R . .
H7C H 0.3165 0.6839 0.3362 0.099 Uiso 1 1 calc R . .
C8 C 0.3505(12) 0.529(2) 0.3441(11) 0.067(7) Uani 1 1 d U . .
H8A H 0.3215 0.5001 0.3440 0.101 Uiso 1 1 calc R A .
H8B H 0.3609 0.5594 0.3695 0.101 Uiso 1 1 calc R . .
H8C H 0.3746 0.4898 0.3422 0.101 Uiso 1 1 calc R . .
C9 C 0.5027(10) 0.9789(15) 0.1524(8) 0.036(4) Uani 1 1 d U . .
C10 C 0.4600(10) 1.0066(16) 0.1189(9) 0.044(5) Uani 1 1 d U A .
H10A H 0.4584 1.0653 0.1187 0.066 Uiso 1 1 calc R . .
H10B H 0.4315 0.9845 0.1242 0.066 Uiso 1 1 calc R . .
H10C H 0.4628 0.9876 0.0923 0.066 Uiso 1 1 calc R . .
C11 C 0.5490(10) 1.0114(15) 0.1464(8) 0.039(5) Uani 1 1 d U A .
H11A H 0.5484 1.0702 0.1468 0.059 Uiso 1 1 calc R . .
H11B H 0.5530 0.9929 0.1201 0.059 Uiso 1 1 calc R . .
H11C H 0.5750 0.9920 0.1685 0.059 Uiso 1 1 calc R . .
C12 C 0.4974(11) 1.0084(16) 0.1940(8) 0.043(5) Uani 1 1 d U A .
H12A H 0.4965 1.0672 0.1942 0.065 Uiso 1 1 calc R . .
H12B H 0.5240 0.9895 0.2158 0.065 Uiso 1 1 calc R . .
H12C H 0.4683 0.9873 0.1986 0.065 Uiso 1 1 calc R . .
C13 C 0.3743(8) 0.9643(12) 0.2143(7) 0.043(3) Uani 1 1 d DU A .
C14 C 0.3519(6) 1.0468(11) 0.2063(5) 0.054(4) Uani 1 1 d DU . .
C15 C 0.3072(8) 1.042(2) 0.1721(8) 0.086(8) Uani 1 1 d DU A .
H15A H 0.2929 1.0958 0.1674 0.129 Uiso 1 1 calc R . .
H15B H 0.2853 1.0050 0.1797 0.129 Uiso 1 1 calc R . .
H15C H 0.3144 1.0236 0.1470 0.129 Uiso 1 1 calc R . .
C16 C 0.3849(11) 1.1055(14) 0.1939(10) 0.077(7) Uani 1 1 d DU A .
H16A H 0.3707 1.1590 0.1904 0.115 Uiso 1 1 calc R . .
H16B H 0.3909 1.0879 0.1682 0.115 Uiso 1 1 calc R . .
H16C H 0.4145 1.1075 0.2153 0.115 Uiso 1 1 calc R . .
C17 C 0.3400(11) 1.0785(17) 0.2443(8) 0.075(7) Uani 1 1 d DU A .
H17A H 0.3275 1.1331 0.2392 0.113 Uiso 1 1 calc R . .
H17B H 0.3683 1.0793 0.2671 0.113 Uiso 1 1 calc R . .
H17C H 0.3165 1.0437 0.2512 0.113 Uiso 1 1 calc R . .
C18 C 0.2987(9) 0.788(2) 0.2018(10) 0.052(3) Uani 1 1 d U A .
C19 C 0.2455(10) 0.785(2) 0.1870(11) 0.063(4) Uani 1 1 d U . .
C20 C 0.2332(11) 0.696(2) 0.1827(13) 0.079(7) Uani 1 1 d U A .
H20A H 0.2474 0.6717 0.1625 0.119 Uiso 1 1 calc R . .
H20B H 0.1992 0.6897 0.1738 0.119 Uiso 1 1 calc R . .
H20C H 0.2453 0.6694 0.2091 0.119 Uiso 1 1 calc R . .
C21 C 0.2273(12) 0.826(3) 0.1495(12) 0.083(7) Uani 1 1 d U A .
H21A H 0.2407 0.8031 0.1285 0.125 Uiso 1 1 calc R . .
H21B H 0.2353 0.8831 0.1530 0.125 Uiso 1 1 calc R . .
H21C H 0.1932 0.8200 0.1412 0.125 Uiso 1 1 calc R . .
C22 C 0.2226(11) 0.825(3) 0.2191(12) 0.077(7) Uani 1 1 d U A .
H22A H 0.1885 0.8240 0.2087 0.115 Uiso 1 1 calc R . .
H22B H 0.2332 0.8811 0.2237 0.115 Uiso 1 1 calc R . .
H22C H 0.2320 0.7956 0.2449 0.115 Uiso 1 1 calc R . .
C23 C 0.3572(12) 0.868(2) 0.0666(8) 0.059(4) Uani 1 1 d U A .
C24 C 0.3184(13) 0.913(2) 0.0357(10) 0.073(5) Uani 1 1 d U . .
C25 C 0.3252(15) 0.917(3) -0.0055(10) 0.087(8) Uani 1 1 d U A .
H25A H 0.3218 0.8632 -0.0175 0.131 Uiso 1 1 calc R . .
H25B H 0.3566 0.9377 -0.0041 0.131 Uiso 1 1 calc R . .
H25C H 0.3018 0.9529 -0.0225 0.131 Uiso 1 1 calc R . .
C26 C 0.2744(14) 0.874(3) 0.0326(12) 0.095(8) Uani 1 1 d U A .
H26A H 0.2754 0.8198 0.0220 0.142 Uiso 1 1 calc R . .
H26B H 0.2493 0.9047 0.0140 0.142 Uiso 1 1 calc R . .
H26C H 0.2683 0.8719 0.0596 0.142 Uiso 1 1 calc R . .
C27 C 0.3185(18) 1.004(3) 0.0555(12) 0.104(9) Uani 1 1 d U A .
H27A H 0.3120 0.9993 0.0823 0.156 Uiso 1 1 calc R . .
H27B H 0.2943 1.0365 0.0374 0.156 Uiso 1 1 calc R . .
H27C H 0.3491 1.0286 0.0585 0.156 Uiso 1 1 calc R . .
C28 C 0.5124(10) 0.8219(18) 0.0235(8) 0.070(3) Uani 1 1 d DU A .
C29 C 0.5312(8) 0.8733(14) -0.0056(7) 0.090(5) Uani 1 1 d DU . .
C30 C 0.5499(13) 0.810(2) -0.0294(10) 0.116(8) Uani 1 1 d DU A .
H30A H 0.5237 0.7804 -0.0470 0.174 Uiso 1 1 calc R . .
H30B H 0.5700 0.7726 -0.0102 0.174 Uiso 1 1 calc R . .
H30C H 0.5681 0.8358 -0.0462 0.174 Uiso 1 1 calc R . .
C31 C 0.4873(12) 0.917(2) -0.0289(9) 0.114(9) Uani 1 1 d DU A .
H31A H 0.4680 0.8803 -0.0491 0.171 Uiso 1 1 calc R . .
H31B H 0.4961 0.9635 -0.0429 0.171 Uiso 1 1 calc R . .
H31C H 0.4696 0.9345 -0.0098 0.171 Uiso 1 1 calc RD . .
C32 C 0.5675(12) 0.9235(14) 0.0239(11) 0.126(9) Uani 1 1 d DU A .
H32A H 0.5837 0.9579 0.0085 0.189 Uiso 1 1 calc R . .
H32B H 0.5902 0.8882 0.0420 0.189 Uiso 1 1 calc R . .
H32C H 0.5520 0.9571 0.0402 0.189 Uiso 1 1 calc R . .
C33 C 0.6454(10) 0.879(2) 0.1428(8) 0.065(5) Uani 1 1 d DU . .
C34 C 0.6832(9) 0.9414(17) 0.1356(6) 0.076(5) Uani 1 1 d DU . .
C36 C 0.7002(11) 0.914(2) 0.1000(9) 0.085(8) Uani 1 1 d DU A .
H36A H 0.7249 0.9501 0.0963 0.128 Uiso 1 1 calc R . .
H36B H 0.6741 0.9144 0.0752 0.128 Uiso 1 1 calc R . .
H36C H 0.7127 0.8594 0.1050 0.128 Uiso 1 1 calc R . .
C37 C 0.7229(10) 0.945(2) 0.1732(9) 0.091(8) Uani 1 1 d DU A .
H37A H 0.7467 0.9825 0.1687 0.137 Uiso 1 1 calc R . .
H37B H 0.7366 0.8918 0.1794 0.137 Uiso 1 1 calc R . .
H37C H 0.7114 0.9643 0.1961 0.137 Uiso 1 1 calc R . .
C38 C 0.6103(10) 0.645(2) 0.0550(9) 0.075(4) Uani 1 1 d DU A .
C39 C 0.6528(8) 0.6217(14) 0.0406(6) 0.090(5) Uani 1 1 d DU . .
C40 C 0.6574(14) 0.5318(17) 0.0358(12) 0.114(9) Uani 1 1 d DU A .
H40A H 0.6850 0.5204 0.0259 0.171 Uiso 1 1 calc R . .
H40B H 0.6294 0.5113 0.0161 0.171 Uiso 1 1 calc R . .
H40C H 0.6607 0.5055 0.0622 0.171 Uiso 1 1 calc R . .
C41 C 0.6528(14) 0.656(3) -0.0006(9) 0.117(8) Uani 1 1 d DU A .
H41A H 0.6494 0.7147 0.0001 0.176 Uiso 1 1 calc R . .
H41B H 0.6268 0.6335 -0.0216 0.176 Uiso 1 1 calc R . .
H41C H 0.6824 0.6430 -0.0070 0.176 Uiso 1 1 calc R . .
C42 C 0.6986(8) 0.647(2) 0.0691(10) 0.101(8) Uani 1 1 d DU A .
H42A H 0.6964 0.7035 0.0771 0.151 Uiso 1 1 calc R . .
H42B H 0.7237 0.6420 0.0553 0.151 Uiso 1 1 calc R . .
H42C H 0.7056 0.6134 0.0935 0.151 Uiso 1 1 calc R . .
C43 C 0.4328(12) 0.662(3) -0.0043(10) 0.071(4) Uani 1 1 d U A .
C44 C 0.3935(12) 0.675(3) -0.0442(10) 0.077(5) Uani 1 1 d U . .
C45 C 0.3968(17) 0.773(3) -0.0614(9) 0.102(12) Uani 1 1 d U A .
H45A H 0.3944 0.8108 -0.0400 0.153 Uiso 1 1 calc R . .
H45B H 0.3710 0.7821 -0.0858 0.153 Uiso 1 1 calc R . .
H45C H 0.4267 0.7804 -0.0682 0.153 Uiso 1 1 calc R . .
C46 C 0.3972(14) 0.616(3) -0.0766(11) 0.096(9) Uani 1 1 d U A .
H46A H 0.4288 0.6185 -0.0807 0.144 Uiso 1 1 calc R . .
H46B H 0.3742 0.6299 -0.1023 0.144 Uiso 1 1 calc R . .
H46C H 0.3910 0.5621 -0.0681 0.144 Uiso 1 1 calc R . .
C47 C 0.3447(12) 0.666(3) -0.0306(11) 0.084(7) Uani 1 1 d U A .
H47A H 0.3437 0.7070 -0.0099 0.126 Uiso 1 1 calc R . .
H47B H 0.3430 0.6127 -0.0192 0.126 Uiso 1 1 calc R . .
H47C H 0.3181 0.6741 -0.0545 0.126 Uiso 1 1 calc R . .
C35 C 0.6605(13) 1.0221(18) 0.1268(11) 0.098(8) Uani 1 1 d DU A .
H35A H 0.6837 1.0614 0.1230 0.146 Uiso 1 1 calc R . .
H35B H 0.6482 1.0385 0.1497 0.146 Uiso 1 1 calc R . .
H35C H 0.6348 1.0191 0.1018 0.146 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O22 Yb1 O7 96.8(7) 2_655 .
O22 Yb1 O19' 93.6(16) 2_655 .
O7 Yb1 O19' 133.7(11) . .
O22 Yb1 O20 81(2) 2_655 .
O7 Yb1 O20 74.6(14) . .
O19' Yb1 O20 62.7(17) . .
O22 Yb1 O2 147.5(6) 2_655 .
O7 Yb1 O2 88.7(6) . .
O19' Yb1 O2 105.6(14) . .
O20 Yb1 O2 131(2) . .
O22 Yb1 O2 91.4(6) 2_655 2_655
O7 Yb1 O2 147.9(6) . 2_655
O19' Yb1 O2 76.3(10) . 2_655
O20 Yb1 O2 137.5(14) . 2_655
O2 Yb1 O2 68.7(7) . 2_655
O22 Yb1 O1 77.2(6) 2_655 .
O7 Yb1 O1 78.1(5) . .
O19' Yb1 O1 148.1(11) . .
O20 Yb1 O1 142.4(14) . .
O2 Yb1 O1 72.6(5) . .
O2 Yb1 O1 73.6(5) 2_655 .
O22 Yb1 O19 127.5(14) 2_655 .
O7 Yb1 O19 88.5(13) . .
O19' Yb1 O19 50.8(17) . .
O20 Yb1 O19 50(2) . .
O2 Yb1 O19 84.5(14) . .
O2 Yb1 O19 110.7(13) 2_655 .
O1 Yb1 O19 153.6(14) . .
O22 Yb1 O20' 82.5(19) 2_655 .
O7 Yb1 O20' 80.4(12) . .
O19' Yb1 O20' 56.4(9) . .
O20 Yb1 O20' 6.3(18) . .
O2 Yb1 O20' 130.0(19) . .
O2 Yb1 O20' 131.6(11) 2_655 .
O1 Yb1 O20' 148.2(12) . .
O19 Yb1 O20' 47(2) . .
O22 Yb1 O2W 81.2(14) 2_655 .
O7 Yb1 O2W 143.9(11) . .
O19' Yb1 O2W 15.2(17) . .
O20 Yb1 O2W 69.5(17) . .
O2 Yb1 O2W 112.3(13) . .
O2 Yb1 O2W 68.0(11) 2_655 .
O1 Yb1 O2W 135.0(12) . .
O19 Yb1 O2W 65.9(17) . .
O20' Yb1 O2W 63.6(16) . .
O22 Yb1 C48' 90.5(13) 2_655 .
O7 Yb1 C48' 106.3(9) . .
O19' Yb1 C48' 28.4(6) . .
O20 Yb1 C48' 34.5(18) . .
O2 Yb1 C48' 118.8(12) . .
O2 Yb1 C48' 104.6(9) 2_655 .
O1 Yb1 C48' 167.4(13) . .
O19 Yb1 C48' 39.0(17) . .
O20' Yb1 C48' 28.2(4) . .
O2W Yb1 C48' 38.1(14) . .
O22 Yb1 O2W' 146.0(13) 2_655 .
O7 Yb1 O2W' 81.3(12) . .
O19' Yb1 O2W' 65.8(18) . .
O20 Yb1 O2W' 66(2) . .
O2 Yb1 O2W' 66.5(13) . .
O2 Yb1 O2W' 108.2(12) 2_655 .
O1 Yb1 O2W' 134.3(13) . .
O19 Yb1 O2W' 19.4(13) . .
O20' Yb1 O2W' 64(2) . .
O2W Yb1 O2W' 80.9(17) . .
C48' Yb1 O2W' 58.3(17) . .
O18 Yb2 O17 90.0(9) . .
O18 Yb2 O15 82.2(7) . .
O17 Yb2 O15 81.7(7) . .
O18 Yb2 O30 95.7(8) . 2_655
O17 Yb2 O30 167.8(7) . 2_655
O15 Yb2 O30 88.3(7) . 2_655
O18 Yb2 O3 158.0(7) . .
O17 Yb2 O3 96.5(6) . .
O15 Yb2 O3 78.0(6) . .
O30 Yb2 O3 74.4(5) 2_655 .
O18 Yb2 O8 130.9(7) . .
O17 Yb2 O8 82.5(7) . .
O15 Yb2 O8 143.1(6) . .
O30 Yb2 O8 101.7(6) 2_655 .
O3 Yb2 O8 70.9(5) . .
O18 Yb2 O9 76.7(7) . .
O17 Yb2 O9 108.4(7) . .
O15 Yb2 O9 156.5(6) . .
O30 Yb2 O9 83.5(6) 2_655 .
O3 Yb2 O9 120.5(5) . .
O8 Yb2 O9 60.4(6) . .
O18 Yb2 P2 103.2(6) . .
O17 Yb2 P2 94.6(5) . .
O15 Yb2 P2 173.5(5) . .
O30 Yb2 P2 94.7(5) 2_655 .
O3 Yb2 P2 97.3(4) . .
O8 Yb2 P2 30.6(4) . .
O9 Yb2 P2 30.0(4) . .
O18 Yb2 Co1 161.8(5) . .
O17 Yb2 Co1 98.6(5) . .
O15 Yb2 Co1 114.8(4) . .
O30 Yb2 Co1 79.2(4) 2_655 .
O3 Yb2 Co1 37.0(4) . .
O8 Yb2 Co1 36.1(4) . .
O9 Yb2 Co1 85.3(4) . .
P2 Yb2 Co1 60.31(14) . .
O18 Yb2 P3 80.2(7) . 2_655
O17 Yb2 P3 168.3(6) . 2_655
O15 Yb2 P3 90.7(5) . 2_655
O30 Yb2 P3 16.2(4) 2_655 2_655
O3 Yb2 P3 90.6(4) . 2_655
O8 Yb2 P3 108.7(4) . 2_655
O9 Yb2 P3 75.6(4) . 2_655
P2 Yb2 P3 93.82(17) . 2_655
Co1 Yb2 P3 92.70(11) . 2_655
O18 Yb2 Yb3 143.6(5) . .
O17 Yb2 Yb3 68.2(5) . .
O15 Yb2 Yb3 66.6(4) . .
O30 Yb2 Yb3 101.4(4) 2_655 .
O3 Yb2 Yb3 29.6(4) . .
O8 Yb2 Yb3 76.6(4) . .
O9 Yb2 Yb3 136.7(4) . .
P2 Yb2 Yb3 107.13(14) . .
Co1 Yb2 Yb3 54.41(5) . .
P3 Yb2 Yb3 116.89(10) 2_655 .
O10 Yb3 O16 172.8(7) . .
O10 Yb3 O13 88.2(7) . .
O16 Yb3 O13 86.3(8) . .
O10 Yb3 O14 91.7(6) . .
O16 Yb3 O14 83.0(7) . .
O13 Yb3 O14 82.4(7) . .
O10 Yb3 O3 90.6(6) . .
O16 Yb3 O3 93.2(6) . .
O13 Yb3 O3 162.4(7) . .
O14 Yb3 O3 80.0(6) . .
O10 Yb3 O5 105.0(6) . .
O16 Yb3 O5 82.0(7) . .
O13 Yb3 O5 124.0(7) . .
O14 Yb3 O5 148.3(6) . .
O3 Yb3 O5 73.2(5) . .
O10 Yb3 O6 68.7(6) . .
O16 Yb3 O6 114.5(7) . .
O13 Yb3 O6 77.2(6) . .
O14 Yb3 O6 151.8(6) . .
O3 Yb3 O6 118.6(5) . .
O5 Yb3 O6 59.4(6) . .
O10 Yb3 P1 88.1(5) . .
O16 Yb3 P1 97.5(6) . .
O13 Yb3 P1 100.6(6) . .
O14 Yb3 P1 176.9(5) . .
O3 Yb3 P1 96.9(4) . .
O5 Yb3 P1 29.3(4) . .
O6 Yb3 P1 30.2(4) . .
O10 Yb3 Co1 93.6(4) . .
O16 Yb3 Co1 93.1(5) . .
O13 Yb3 Co1 160.8(6) . .
O14 Yb3 Co1 116.5(4) . .
O3 Yb3 Co1 36.8(4) . .
O5 Yb3 Co1 37.3(4) . .
O6 Yb3 Co1 85.7(4) . .
P1 Yb3 Co1 60.46(13) . .
O10 Yb3 Yb4 39.0(4) . .
O16 Yb3 Yb4 141.3(5) . .
O13 Yb3 Yb4 68.4(5) . .
O14 Yb3 Yb4 120.0(4) . .
O3 Yb3 Yb4 119.7(4) . .
O5 Yb3 Yb4 88.4(4) . .
O6 Yb3 Yb4 33.5(4) . .
P1 Yb3 Yb4 61.27(14) . .
Co1 Yb3 Yb4 101.63(6) . .
O10 Yb3 Yb2 117.4(4) . .
O16 Yb3 Yb2 65.0(5) . .
O13 Yb3 Yb2 139.8(5) . .
O14 Yb3 Yb2 67.4(4) . .
O3 Yb3 Yb2 30.3(4) . .
O5 Yb3 Yb2 81.0(4) . .
O6 Yb3 Yb2 139.2(4) . .
P1 Yb3 Yb2 110.11(13) . .
Co1 Yb3 Yb2 54.46(5) . .
Yb4 Yb3 Yb2 150.00(4) . .
O12 Yb4 O6 82.3(7) . .
O12 Yb4 O24 86.8(8) . .
O6 Yb4 O24 83.5(8) . .
O12 Yb4 O28 80.2(8) . .
O6 Yb4 O28 157.5(7) . .
O24 Yb4 O28 81.6(10) . .
O12 Yb4 O4 168.4(7) . .
O6 Yb4 O4 92.4(6) . .
O24 Yb4 O4 82.3(7) . .
O28 Yb4 O4 102.1(8) . .
O12 Yb4 O11 116.3(7) . .
O6 Yb4 O11 120.9(6) . .
O24 Yb4 O11 147.0(7) . .
O28 Yb4 O11 79.8(8) . .
O4 Yb4 O11 75.4(6) . .
O12 Yb4 O10 84.2(6) . .
O6 Yb4 O10 69.1(6) . .
O24 Yb4 O10 152.1(7) . .
O28 Yb4 O10 122.5(8) . .
O4 Yb4 O10 103.6(6) . .
O11 Yb4 O10 58.9(6) . .
O12 Yb4 C28 101.7(8) . .
O6 Yb4 C28 166.0(7) . .
O24 Yb4 C28 83.3(9) . .
O28 Yb4 C28 21.5(8) . .
O4 Yb4 C28 81.2(7) . .
O11 Yb4 C28 69.7(7) . .
O10 Yb4 C28 124.4(7) . .
O12 Yb4 P3 102.4(6) . .
O6 Yb4 P3 96.2(4) . .
O24 Yb4 P3 170.6(6) . .
O28 Yb4 P3 101.2(7) . .
O4 Yb4 P3 88.4(4) . .
O11 Yb4 P3 28.1(4) . .
O10 Yb4 P3 30.8(4) . .
C28 Yb4 P3 96.1(6) . .
O12 Yb4 O27 123.5(7) . .
O6 Yb4 O27 150.6(6) . .
O24 Yb4 O27 84.0(7) . .
O28 Yb4 O27 43.2(7) . .
O4 Yb4 O27 59.6(6) . .
O11 Yb4 O27 63.9(6) . .
O10 Yb4 O27 122.8(6) . .
C28 Yb4 O27 21.8(6) . .
P3 Yb4 O27 92.0(4) . .
O12 Yb4 Co3 149.7(6) . .
O6 Yb4 Co3 122.8(4) . .
O24 Yb4 Co3 110.9(6) . .
O28 Yb4 Co3 78.4(6) . .
O4 Yb4 Co3 40.6(4) . .
O11 Yb4 Co3 38.5(4) . .
O10 Yb4 Co3 89.4(4) . .
C28 Yb4 Co3 58.5(5) . .
P3 Yb4 Co3 61.50(13) . .
O27 Yb4 Co3 40.3(4) . .
O12 Yb4 Co2 138.2(5) . .
O6 Yb4 Co2 102.8(4) . .
O24 Yb4 Co2 53.4(6) . .
O28 Yb4 Co2 81.5(7) . .
O4 Yb4 Co2 33.2(4) . .
O11 Yb4 Co2 96.8(4) . .
O10 Yb4 Co2 136.8(4) . .
C28 Yb4 Co2 65.2(5) . .
P3 Yb4 Co2 117.85(14) . .
O27 Yb4 Co2 49.1(5) . .
Co3 Yb4 Co2 58.43(9) . .
O1 Co1 O8 171.5(6) . .
O1 Co1 O2 82.9(6) . .
O8 Co1 O2 97.1(6) . .
O1 Co1 O3 99.6(6) . .
O8 Co1 O3 81.0(6) . .
O2 Co1 O3 175.1(6) . .
O1 Co1 O1 79.9(6) . 2_655
O8 Co1 O1 91.8(6) . 2_655
O2 Co1 O1 82.7(6) . 2_655
O3 Co1 O1 101.9(6) . 2_655
O1 Co1 O5 93.3(6) . .
O8 Co1 O5 95.1(6) . .
O2 Co1 O5 95.4(6) . .
O3 Co1 O5 80.2(6) . .
O1 Co1 O5 173.0(6) 2_655 .
O1 Co1 Yb1 42.7(4) . .
O8 Co1 Yb1 139.0(4) . .
O2 Co1 Yb1 42.3(4) . .
O3 Co1 Yb1 138.8(4) . .
O1 Co1 Yb1 88.7(4) 2_655 .
O5 Co1 Yb1 85.4(4) . .
O1 Co1 Yb1 89.5(4) . 2_655
O8 Co1 Yb1 85.0(4) . 2_655
O2 Co1 Yb1 42.2(4) . 2_655
O3 Co1 Yb1 141.6(4) . 2_655
O1 Co1 Yb1 42.8(4) 2_655 2_655
O5 Co1 Yb1 136.9(4) . 2_655
Yb1 Co1 Yb1 68.11(7) . 2_655
O1 Co1 Yb3 91.6(4) . .
O8 Co1 Yb3 94.2(4) . .
O2 Co1 Yb3 135.7(5) . .
O3 Co1 Yb3 40.4(4) . .
O1 Co1 Yb3 139.7(4) 2_655 .
O5 Co1 Yb3 40.8(4) . .
Yb1 Co1 Yb3 111.31(8) . .
Yb1 Co1 Yb3 177.49(10) 2_655 .
O1 Co1 Yb2 135.6(4) . .
O8 Co1 Yb2 42.0(4) . .
O2 Co1 Yb2 137.7(5) . .
O3 Co1 Yb2 41.7(4) . .
O1 Co1 Yb2 87.7(4) 2_655 .
O5 Co1 Yb2 98.1(4) . .
Yb1 Co1 Yb2 176.37(10) . .
Yb1 Co1 Yb2 109.57(8) 2_655 .
Yb3 Co1 Yb2 71.13(6) . .
O4 Co2 O25 118.6(8) . .
O4 Co2 O23 124.5(8) . .
O25 Co2 O23 103.0(10) . .
O4 Co2 O1W 101.3(10) . .
O25 Co2 O1W 107.2(11) . .
O23 Co2 O1W 99.3(11) . .
O4 Co2 Yb4 38.8(5) . .
O25 Co2 Yb4 136.0(8) . .
O23 Co2 Yb4 85.7(6) . .
O1W Co2 Yb4 113.8(8) . .
O29 Co3 O9 93.1(8) . 2_655
O29 Co3 O11 98.4(8) . .
O9 Co3 O11 105.9(6) 2_655 .
O29 Co3 O26 85.9(9) . .
O9 Co3 O26 86.8(8) 2_655 .
O11 Co3 O26 166.3(8) . .
O29 Co3 O4 172.5(8) . .
O9 Co3 O4 94.3(7) 2_655 .
O11 Co3 O4 80.7(6) . .
O26 Co3 O4 93.3(8) . .
O29 Co3 O27 95.1(9) . .
O9 Co3 O27 165.2(8) 2_655 .
O11 Co3 O27 85.0(7) . .
O26 Co3 O27 81.6(9) . .
O4 Co3 O27 77.4(8) . .
O29 Co3 Yb4 133.6(7) . .
O9 Co3 Yb4 117.5(5) 2_655 .
O11 Co3 Yb4 42.4(5) . .
O26 Co3 Yb4 126.9(6) . .
O4 Co3 Yb4 42.5(5) . .
O27 Co3 Yb4 64.1(6) . .
O7 P1 O6 113.8(10) . .
O7 P1 O5 115.5(9) . .
O6 P1 O5 102.9(9) . .
O7 P1 C1 109.2(13) . .
O6 P1 C1 108.1(13) . .
O5 P1 C1 106.8(12) . .
O7 P1 Yb3 135.5(7) . .
O6 P1 Yb3 56.5(6) . .
O5 P1 Yb3 46.5(6) . .
C1 P1 Yb3 115.0(11) . .
O7 P1 Yb1 25.5(6) . .
O6 P1 Yb1 123.2(7) . .
O5 P1 Yb1 90.1(6) . .
C1 P1 Yb1 120.6(12) . .
Yb3 P1 Yb1 117.25(19) . .
O9 P2 O22 113.3(10) . .
O9 P2 O8 101.7(9) . .
O22 P2 O8 114.7(10) . .
O9 P2 C5 110.8(15) . .
O22 P2 C5 109.0(14) . .
O8 P2 C5 107.0(13) . .
O9 P2 Yb2 52.1(6) . .
O22 P2 Yb2 134.2(7) . .
O8 P2 Yb2 49.8(6) . .
C5 P2 Yb2 116.8(12) . .
O9 P2 Yb1 121.6(7) . 2_655
O22 P2 Yb1 25.6(7) . 2_655
O8 P2 Yb1 89.1(6) . 2_655
C5 P2 Yb1 120.3(13) . 2_655
Yb2 P2 Yb1 117.02(19) . 2_655
O30 P3 O11 116.6(10) . .
O30 P3 O10 109.8(10) . .
O11 P3 O10 100.8(9) . .
O30 P3 C9 110.0(12) . .
O11 P3 C9 110.5(11) . .
O10 P3 C9 108.5(11) . .
O30 P3 Yb4 127.5(7) . .
O11 P3 Yb4 45.7(7) . .
O10 P3 Yb4 55.2(6) . .
C9 P3 Yb4 122.5(9) . .
O30 P3 Yb2 24.9(7) . 2_655
O11 P3 Yb2 96.4(7) . 2_655
O10 P3 Yb2 131.1(7) . 2_655
C9 P3 Yb2 107.5(9) . 2_655
Yb4 P3 Yb2 124.07(19) . 2_655
Co1 O1 Co1 100.1(6) . 2_655
Co1 O1 Yb1 100.7(6) . .
Co1 O1 Yb1 99.2(6) 2_655 .
Co1 O2 Yb1 100.0(6) . .
Co1 O2 Yb1 100.2(6) . 2_655
Yb1 O2 Yb1 110.1(7) . 2_655
Co1 O3 Yb3 102.9(6) . .
Co1 O3 Yb2 101.4(6) . .
Yb3 O3 Yb2 120.1(6) . .
Co2 O4 Co3 105.0(8) . .
Co2 O4 Yb4 108.0(8) . .
Co3 O4 Yb4 96.9(7) . .
P1 O5 Co1 126.3(9) . .
P1 O5 Yb3 104.2(8) . .
Co1 O5 Yb3 101.9(6) . .
P1 O6 Yb4 144.1(10) . .
P1 O6 Yb3 93.3(8) . .
Yb4 O6 Yb3 106.6(7) . .
P1 O7 Yb1 138.0(10) . .
P2 O8 Co1 127.6(9) . .
P2 O8 Yb2 99.6(8) . .
Co1 O8 Yb2 101.9(6) . .
P2 O9 Co3 140.5(11) . 2_655
P2 O9 Yb2 97.9(8) . .
Co3 O9 Yb2 116.7(8) 2_655 .
P3 O10 Yb3 157.1(10) . .
P3 O10 Yb4 94.0(7) . .
Yb3 O10 Yb4 107.8(7) . .
P3 O11 Co3 130.2(10) . .
P3 O11 Yb4 106.2(9) . .
Co3 O11 Yb4 99.1(7) . .
C23 O12 Yb4 140.3(17) . .
C23 O13 Yb3 136.9(19) . .
C13 O14 Yb3 139.3(14) . .
C13 O15 Yb2 141.2(16) . .
C18 O16 Yb3 143.1(18) . .
C18 O17 Yb2 138.6(18) . .
C33 O18 Yb2 149(2) 2_655 .
C48 O19 Yb1 105(4) . .
C48 O20 Yb1 97(4) . .
O19 C48 O20 106(5) . .
O19 C48 C49 124(5) . .
O20 C48 C49 129(4) . .
O19 C48 Yb1 54(3) . .
O20 C48 Yb1 54(2) . .
C49 C48 Yb1 178(3) . .
C48 C49 C50 105(2) . .
C48 C49 C52 105(2) . .
C50 C49 C52 113.6(19) . .
C48 C49 C51 105(2) . .
C50 C49 C51 113.7(19) . .
C52 C49 C51 113.5(19) . .
C48' O19' Yb1 92(3) . .
C48' O20' Yb1 83(3) . .
O19' C48' O20' 127(5) . .
O19' C48' C49' 115(3) . .
O20' C48' C49' 117(3) . .
O19' C48' Yb1 59(3) . .
O20' C48' Yb1 69(3) . .
C49' C48' Yb1 174(2) . .
C50' C49' C51' 109(2) . .
C50' C49' C52' 109(2) . .
C51' C49' C52' 109(2) . .
C50' C49' C48' 110(2) . .
C51' C49' C48' 110(2) . .
C52' C49' C48' 110(2) . .
P2 O22 Yb1 137.0(10) . 2_655
C43 O23 Co2 109(2) . .
C43 O24 Yb4 137(3) . .
C38 O25 Co2 119.0(17) . .
C38 O26 Co3 133(2) . .
C28 O27 Co3 131(2) . .
C28 O27 Yb4 74.4(16) . .
Co3 O27 Yb4 75.6(5) . .
C28 O28 Yb4 117.0(18) . .
C33 O29 Co3 129.5(17) . .
P3 O30 Yb2 138.9(10) . 2_655
C4 C1 C2 116(3) . .
C4 C1 C3 106(3) . .
C2 C1 C3 109(3) . .
C4 C1 P1 109(2) . .
C2 C1 P1 109(2) . .
C3 C1 P1 108(2) . .
C6 C5 C7 115(3) . .
C6 C5 C8 109(3) . .
C7 C5 C8 110(3) . .
C6 C5 P2 109(2) . .
C7 C5 P2 107(2) . .
C8 C5 P2 107(2) . .
C11 C9 C10 113(2) . .
C11 C9 C12 108(2) . .
C10 C9 C12 109(2) . .
C11 C9 P3 108.7(18) . .
C10 C9 P3 108.7(19) . .
C12 C9 P3 109.4(17) . .
O15 C13 O14 123.2(19) . .
O15 C13 C14 121.9(17) . .
O14 C13 C14 114.6(16) . .
C17 C14 C16 108.7(12) . .
C17 C14 C15 108.4(12) . .
C16 C14 C15 108.4(12) . .
C17 C14 C13 110.6(12) . .
C16 C14 C13 110.5(12) . .
C15 C14 C13 110.2(12) . .
O17 C18 O16 124(2) . .
O17 C18 C19 120(3) . .
O16 C18 C19 115(3) . .
C21 C19 C18 114(3) . .
C21 C19 C20 111(3) . .
C18 C19 C20 105(3) . .
C21 C19 C22 107(3) . .
C18 C19 C22 111(3) . .
C20 C19 C22 110(3) . .
O12 C23 O13 123(3) . .
O12 C23 C24 120(3) . .
O13 C23 C24 116(3) . .
C26 C24 C25 107(3) . .
C26 C24 C23 109(3) . .
C25 C24 C23 114(3) . .
C26 C24 C27 110(4) . .
C25 C24 C27 111(3) . .
C23 C24 C27 104(3) . .
O27 C28 O28 125(3) . .
O27 C28 C29 115(2) . .
O28 C28 C29 120(2) . .
O27 C28 Yb4 83.8(16) . .
O28 C28 Yb4 41.6(13) . .
C29 C28 Yb4 160.0(15) . .
C32 C29 C30 116.2(10) . .
C32 C29 C31 116.3(10) . .
C30 C29 C31 115.9(10) . .
C32 C29 C28 101.6(14) . .
C30 C29 C28 101.4(14) . .
C31 C29 C28 101.4(14) . .
O18 C33 O29 123(3) 2_655 .
O18 C33 C34 118(2) 2_655 .
O29 C33 C34 118.2(19) . .
C37 C34 C36 110.3(15) . .
C37 C34 C35 110.0(15) . .
C36 C34 C35 110.0(15) . .
C37 C34 C33 109.0(16) . .
C36 C34 C33 108.8(16) . .
C35 C34 C33 108.7(16) . .
O26 C38 O25 129(3) . .
O26 C38 C39 121(2) . .
O25 C38 C39 107.6(19) . .
C42 C39 C41 105.5(16) . .
C42 C39 C38 113.7(14) . .
C41 C39 C38 113.6(14) . .
C42 C39 C40 105.0(16) . .
C41 C39 C40 104.9(16) . .
C38 C39 C40 113.2(14) . .
O23 C43 O24 126(3) . .
O23 C43 C44 116(3) . .
O24 C43 C44 118(3) . .
C46 C44 C43 111(3) . .
C46 C44 C47 113(3) . .
C43 C44 C47 105(3) . .
C46 C44 C45 110(3) . .
C43 C44 C45 109(3) . .
C47 C44 C45 108(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O22 2.205(18) 2_655
Yb1 O7 2.252(17) .
Yb1 O19' 2.26(4) .
Yb1 O20 2.28(5) .
Yb1 O2 2.299(16) .
Yb1 O2 2.302(16) 2_655
Yb1 O1 2.320(14) .
Yb1 O19 2.36(4) .
Yb1 O20' 2.46(5) .
Yb1 O2W 2.59(4) .
Yb1 C48' 2.63(4) .
Yb1 O2W' 2.47(4) .
Yb2 O18 2.183(19) .
Yb2 O17 2.228(18) .
Yb2 O15 2.253(17) .
Yb2 O30 2.261(17) 2_655
Yb2 O3 2.315(14) .
Yb2 O8 2.334(16) .
Yb2 O9 2.401(16) .
Yb2 P2 3.013(7) .
Yb2 Co1 3.415(3) .
Yb2 P3 3.527(6) 2_655
Yb2 Yb3 3.9716(15) .
Yb3 O10 2.182(17) .
Yb3 O16 2.196(18) .
Yb3 O13 2.229(17) .
Yb3 O14 2.244(17) .
Yb3 O3 2.268(14) .
Yb3 O5 2.280(16) .
Yb3 O6 2.544(16) .
Yb3 P1 3.045(7) .
Yb3 Co1 3.413(3) .
Yb3 Yb4 3.8008(16) .
Yb4 O12 2.142(18) .
Yb4 O6 2.190(18) .
Yb4 O24 2.22(2) .
Yb4 O28 2.23(2) .
Yb4 O4 2.269(17) .
Yb4 O11 2.277(18) .
Yb4 O10 2.515(16) .
Yb4 C28 3.00(3) .
Yb4 P3 3.056(6) .
Yb4 O27 3.10(2) .
Yb4 Co3 3.335(3) .
Yb4 Co2 3.441(4) .
Co1 O1 2.044(14) .
Co1 O8 2.057(15) .
Co1 O2 2.090(15) .
Co1 O3 2.095(14) .
Co1 O1 2.102(14) 2_655
Co1 O5 2.112(15) .
Co1 Yb1 3.371(3) 2_655
Co2 O4 1.979(16) .
Co2 O25 2.00(2) .
Co2 O23 2.02(2) .
Co2 O1W 2.07(3) .
Co3 O29 1.97(2) .
Co3 O9 2.076(17) 2_655
Co3 O11 2.102(17) .
Co3 O26 2.14(2) .
Co3 O4 2.188(17) .
Co3 O27 2.228(19) .
P1 O7 1.488(18) .
P1 O6 1.533(19) .
P1 O5 1.537(17) .
P1 C1 1.80(3) .
P2 O9 1.520(19) .
P2 O22 1.529(18) .
P2 O8 1.554(16) .
P2 C5 1.82(3) .
P2 Yb1 3.483(7) 2_655
P3 O30 1.495(17) .
P3 O11 1.499(17) .
P3 O10 1.570(18) .
P3 C9 1.81(2) .
P3 Yb2 3.527(6) 2_655
O1 Co1 2.102(14) 2_655
O2 Yb1 2.302(16) 2_655
O9 Co3 2.076(17) 2_655
O12 C23 1.26(4) .
O13 C23 1.27(4) .
O14 C13 1.29(3) .
O15 C13 1.22(3) .
O16 C18 1.30(4) .
O17 C18 1.21(4) .
O18 C33 1.25(3) 2_655
O19 C48 1.04(6) .
O20 C48 1.41(9) .
C48 C49 1.520(10) .
C49 C50 1.523(10) .
C49 C52 1.525(14) .
C49 C51 1.526(14) .
O19' C48' 1.251(10) .
O20' C48' 1.252(10) .
C48' C49' 1.521(10) .
C49' C50' 1.519(10) .
C49' C51' 1.520(14) .
C49' C52' 1.520(14) .
O22 Yb1 2.205(18) 2_655
O23 C43 1.23(4) .
O24 C43 1.26(4) .
O25 C38 1.24(4) .
O26 C38 1.21(3) .
O27 C28 1.16(3) .
O28 C28 1.23(3) .
O29 C33 1.31(3) .
O30 Yb2 2.261(17) 2_655
C1 C4 1.52(5) .
C1 C2 1.52(5) .
C1 C3 1.55(4) .
C5 C6 1.45(5) .
C5 C7 1.58(5) .
C5 C8 1.62(4) .
C9 C11 1.54(4) .
C9 C10 1.53(4) .
C9 C12 1.54(3) .
C13 C14 1.519(10) .
C14 C17 1.516(13) .
C14 C16 1.516(13) .
C14 C15 1.519(9) .
C18 C19 1.52(4) .
C19 C21 1.41(5) .
C19 C20 1.53(5) .
C19 C22 1.57(5) .
C23 C24 1.53(4) .
C24 C26 1.44(6) .
C24 C25 1.46(5) .
C24 C27 1.64(6) .
C28 C29 1.516(10) .
C29 C32 1.514(13) .
C29 C30 1.517(13) .
C29 C31 1.517(9) .
C33 O18 1.25(3) 2_655
C33 C34 1.59(4) .
C34 C37 1.49(2) .
C34 C36 1.49(2) .
C34 C35 1.50(2) .
C38 C39 1.516(10) .
C39 C42 1.509(13) .
C39 C41 1.510(13) .
C39 C40 1.516(9) .
C43 C44 1.55(4) .
C44 C46 1.50(5) .
C44 C47 1.63(5) .
C44 C45 1.74(6) .
