#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:15:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178943 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/72/4117288.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_4117288
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 Ho8 N4 O73 P8'
_chemical_formula_weight         4831.58
_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                 101.842(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.466(3)
_cell_length_b                   20.601(2)
_cell_length_c                   24.959(2)
_cell_measurement_temperature    100(2)
_cell_volume                     17848(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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            52572
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    4.376
_exptl_absorpt_correction_T_max  0.6687
_exptl_absorpt_correction_T_min  0.1276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_description       needle
_exptl_crystal_F_000             9512
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.295
_refine_diff_density_min         -3.566
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1330
_refine_ls_number_reflns         15694
_refine_ls_number_restraints     2197
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_gt           0.0854
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0786P)²+706.7001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1990
_refine_ls_wR_factor_ref         0.2272
_reflns_number_gt                11206
_reflns_number_total             15694
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja208367k_si_021.cif
_cod_data_source_block           cohom
_cod_database_code               4117288
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
Ho1 Ho 0.559689(19) 1.66715(3) 0.83752(3) 0.0598(2) Uani 1 1 d U . .
Ho2 Ho 0.63377(2) 1.53920(6) 0.89092(3) 0.0969(4) Uani 1 1 d U . .
Ho3 Ho 0.65100(3) 1.29566(5) 0.82104(4) 0.0912(3) Uani 1 1 d DU . .
Ho4 Ho 0.58744(5) 1.16431(7) 0.78214(7) 0.0559(3) Uani 0.5060(14) 1 d PDU . 1
O34 O 0.5948(4) 1.2701(8) 0.7665(11) 0.065(2) Uani 0.5060(14) 1 d PDU . 1
H34D H 0.5920 1.2828 0.7272 0.078 Uiso 0.5060(14) 1 calc PR . 1
C81 C 0.6502(5) 1.1525(9) 0.8730(7) 0.100(3) Uani 0.5060(14) 1 d PDU . 1
C90 C 0.6839(5) 1.1306(10) 0.9164(8) 0.107(4) Uani 0.5060(14) 1 d PDU . 1
O22 O 0.6428(7) 1.2097(10) 0.8541(10) 0.092(2) Uani 0.5060(14) 1 d PDU . 1
O38 O 0.6262(5) 1.1067(12) 0.8533(8) 0.097(3) Uani 0.5060(14) 1 d PDU . 1
C88 C 0.6696(9) 1.0832(15) 0.9545(9) 0.120(7) Uani 0.5060(14) 1 d PDU . 1
H88A H 0.6491 1.1037 0.9697 0.180 Uiso 0.5060(14) 1 calc PR . 1
H88B H 0.6909 1.0711 0.9844 0.180 Uiso 0.5060(14) 1 calc PR . 1
H88C H 0.6594 1.0442 0.9340 0.180 Uiso 0.5060(14) 1 calc PR . 1
C85 C 0.7128(7) 1.0977(15) 0.8886(13) 0.114(6) Uani 0.5060(14) 1 d PDU . 1
H85A H 0.7221 1.1288 0.8645 0.171 Uiso 0.5060(14) 1 calc PR . 1
H85B H 0.7004 1.0610 0.8668 0.171 Uiso 0.5060(14) 1 calc PR . 1
H85C H 0.7345 1.0820 0.9163 0.171 Uiso 0.5060(14) 1 calc PR . 1
C91 C 0.7021(9) 1.1890(15) 0.9485(13) 0.126(8) Uani 0.5060(14) 1 d PDU . 1
H91A H 0.7105 1.2200 0.9235 0.189 Uiso 0.5060(14) 1 calc PR . 1
H91B H 0.7245 1.1750 0.9761 0.189 Uiso 0.5060(14) 1 calc PR . 1
H91C H 0.6833 1.2099 0.9666 0.189 Uiso 0.5060(14) 1 calc PR . 1
P4 P 0.5016(3) 1.1677(4) 0.8167(4) 0.0609(16) Uani 0.5060(14) 1 d PDU . 1
O23 O 0.5337(5) 1.2197(9) 0.8157(9) 0.062(2) Uani 0.5060(14) 1 d PDU . 1
O21 O 0.5179(6) 1.1074(8) 0.7905(9) 0.068(3) Uani 0.5060(14) 1 d PDU . 1
O36 O 0.4601(5) 1.1854(9) 0.7844(8) 0.060(3) Uani 0.5060(14) 1 d PDU . 1
C55 C 0.4994(5) 1.1499(8) 0.8869(12) 0.070(3) Uani 0.5060(14) 1 d PDU . 1
C56 C 0.4701(7) 1.0942(12) 0.8874(11) 0.076(4) Uani 0.5060(14) 1 d PDU . 1
H56A H 0.4684 1.0844 0.9252 0.113 Uiso 0.5060(14) 1 calc PR . 1
H56B H 0.4786 1.0554 0.8704 0.113 Uiso 0.5060(14) 1 calc PR . 1
H56C H 0.4447 1.1075 0.8667 0.113 Uiso 0.5060(14) 1 calc PR . 1
C57 C 0.5398(8) 1.1292(13) 0.9182(9) 0.080(4) Uani 0.5060(14) 1 d PDU . 1
H57A H 0.5388 1.1189 0.9562 0.120 Uiso 0.5060(14) 1 calc PR . 1
H57B H 0.5581 1.1647 0.9176 0.120 Uiso 0.5060(14) 1 calc PR . 1
H57C H 0.5482 1.0907 0.9007 0.120 Uiso 0.5060(14) 1 calc PR . 1
C80 C 0.4860(8) 1.2117(13) 0.9132(9) 0.074(4) Uani 0.5060(14) 1 d PDU . 1
H80A H 0.4841 1.2023 0.9510 0.111 Uiso 0.5060(14) 1 calc PR . 1
H80B H 0.4608 1.2252 0.8923 0.111 Uiso 0.5060(14) 1 calc PR . 1
H80C H 0.5047 1.2466 0.9129 0.111 Uiso 0.5060(14) 1 calc PR . 1
O24 O 0.5310(10) 0.9880(14) 0.7158(14) 0.110(5) Uani 0.5060(14) 1 d PU . 1
Ho4' Ho 0.56825(5) 1.16377(8) 0.75507(7) 0.0559(3) Uani 0.4940(14) 1 d PU . 2
O34' O 0.5864(6) 1.2773(11) 0.7677(12) 0.063(2) Uani 0.4940(14) 1 d PU . 2
H34E H 0.5830 1.2997 0.7315 0.076 Uiso 0.4940(14) 1 calc PR . 2
C81' C 0.6510(7) 1.1668(12) 0.8645(12) 0.099(3) Uani 0.4940(14) 1 d PDU . 2
O22' O 0.6205(6) 1.1763(13) 0.8284(9) 0.086(2) Uani 0.4940(14) 1 d PDU . 2
O38' O 0.6782(7) 1.2074(12) 0.8820(11) 0.100(3) Uani 0.4940(14) 1 d PDU . 2
C90' C 0.6653(6) 1.0998(12) 0.8802(9) 0.108(3) Uani 0.4940(14) 1 d PDU . 2
C91' C 0.6328(10) 1.0543(14) 0.8840(16) 0.125(7) Uani 0.4940(14) 1 d PDU . 2
H91D H 0.6433 1.0113 0.8956 0.187 Uiso 0.4940(14) 1 calc PR . 2
H91E H 0.6154 1.0508 0.8482 0.187 Uiso 0.4940(14) 1 calc PR . 2
H91F H 0.6186 1.0710 0.9108 0.187 Uiso 0.4940(14) 1 calc PR . 2
C85' C 0.6864(10) 1.0715(18) 0.8391(14) 0.127(7) Uani 0.4940(14) 1 d PDU . 2
H85D H 0.6918 1.0255 0.8474 0.190 Uiso 0.4940(14) 1 calc PR . 2
H85E H 0.7107 1.0948 0.8410 0.190 Uiso 0.4940(14) 1 calc PR . 2
H85F H 0.6705 1.0757 0.8023 0.190 Uiso 0.4940(14) 1 calc PR . 2
C88' C 0.6928(9) 1.0989(18) 0.9350(12) 0.125(6) Uani 0.4940(14) 1 d PDU . 2
H88D H 0.6997 1.0539 0.9455 0.188 Uiso 0.4940(14) 1 calc PR . 2
H88E H 0.6804 1.1189 0.9626 0.188 Uiso 0.4940(14) 1 calc PR . 2
H88F H 0.7161 1.1233 0.9326 0.188 Uiso 0.4940(14) 1 calc PR . 2
P4' P 0.5209(3) 1.1670(4) 0.8429(4) 0.0627(16) Uani 0.4940(14) 1 d PDU . 2
O23' O 0.5516(6) 1.2195(10) 0.8392(9) 0.064(2) Uani 0.4940(14) 1 d PU . 2
O21' O 0.5367(7) 1.1055(10) 0.8177(10) 0.073(3) Uani 0.4940(14) 1 d PU . 2
O24' O 0.5458(10) 0.9811(15) 0.7459(14) 0.109(5) Uani 0.4940(14) 1 d PU . 2
O36' O 0.4790(7) 1.1855(9) 0.8128(9) 0.058(3) Uani 0.4940(14) 1 d PU . 2
C55' C 0.5206(5) 1.1489(8) 0.9142(12) 0.070(4) Uani 0.4940(14) 1 d PDU . 2
C80' C 0.5095(8) 1.2113(13) 0.9414(9) 0.074(4) Uani 0.4940(14) 1 d PDU . 2
H80D H 0.5083 1.2021 0.9796 0.111 Uiso 0.4940(14) 1 calc PR . 2
H80E H 0.4843 1.2265 0.9217 0.111 Uiso 0.4940(14) 1 calc PR . 2
H80F H 0.5289 1.2448 0.9404 0.111 Uiso 0.4940(14) 1 calc PR . 2
C57' C 0.5613(7) 1.1259(13) 0.9422(9) 0.080(4) Uani 0.4940(14) 1 d PDU . 2
H57D H 0.5617 1.1158 0.9807 0.120 Uiso 0.4940(14) 1 calc PR . 2
H57E H 0.5800 1.1603 0.9400 0.120 Uiso 0.4940(14) 1 calc PR . 2
H57F H 0.5680 1.0869 0.9237 0.120 Uiso 0.4940(14) 1 calc PR . 2
C56' C 0.4906(8) 1.0948(12) 0.9155(12) 0.076(4) Uani 0.4940(14) 1 d PDU . 2
H56D H 0.4894 1.0852 0.9535 0.113 Uiso 0.4940(14) 1 calc PR . 2
H56E H 0.4982 1.0556 0.8981 0.113 Uiso 0.4940(14) 1 calc PR . 2
H56F H 0.4653 1.1093 0.8956 0.113 Uiso 0.4940(14) 1 calc PR . 2
Co1 Co 0.56222(5) 1.51647(9) 0.77536(7) 0.0530(4) Uani 1 1 d U . .
Co2 Co 0.5000 1.78679(14) 0.7500 0.0799(10) Uani 1 2 d SU . .
Co3 Co 0.55253(6) 1.31394(10) 0.81036(9) 0.0667(6) Uani 1 1 d DU . .
Co4 Co 0.71039(7) 1.41921(18) 0.91000(10) 0.1053(10) Uani 1 1 d U . .
Co5 Co 0.5000 1.04377(17) 0.7500 0.1202(14) Uani 1 2 d SU . .
P1 P 0.54257(11) 1.66516(18) 0.71212(16) 0.0563(8) Uani 1 1 d U . .
P2 P 0.65658(12) 1.4663(3) 0.79571(17) 0.0768(11) Uani 1 1 d U . .
P3 P 0.6266(6) 1.3779(9) 0.9157(8) 0.0856(15) Uani 0.50 1 d PU . 1
P3' P 0.6216(6) 1.3612(9) 0.9096(8) 0.0856(15) Uani 0.50 1 d PU . 2
O2 O 0.5606(3) 1.6124(4) 0.7530(4) 0.0542(16) Uani 1 1 d U . 2
O3 O 0.5693(3) 1.5567(5) 0.8510(4) 0.0602(16) Uani 1 1 d U . 2
H3D H 0.5515 1.5375 0.8731 0.072 Uiso 1 1 calc R . 2
O4 O 0.5431(3) 1.7249(4) 0.7494(4) 0.0636(18) Uani 1 1 d U . 2
O5 O 0.6214(3) 1.5094(6) 0.7956(4) 0.073(2) Uani 1 1 d U . 2
O6 O 0.5028(3) 1.6492(4) 0.6802(4) 0.0571(19) Uani 1 1 d U . 2
O7 O 0.6130(3) 1.4398(7) 0.9057(4) 0.0889(19) Uani 1 1 d U . 2
O9 O 0.6470(3) 1.3944(6) 0.7864(4) 0.076(2) Uani 1 1 d U . 2
O10 O 0.5636(3) 1.6563(6) 0.9281(4) 0.077(2) Uani 1 1 d DU . 2
O46 O 0.6013(3) 1.3247(6) 0.8678(4) 0.081(2) Uani 1 1 d U . 2
O45 O 0.6819(3) 1.4797(7) 0.8526(4) 0.085(2) Uani 1 1 d U . 2
O20 O 0.5784(15) 1.062(2) 0.7343(17) 0.102(4) Uani 0.5060(14) 1 d PU . 1
O20' O 0.5854(15) 1.064(2) 0.7502(18) 0.106(4) Uani 0.4940(14) 1 d PU . 2
C21 C 0.5726(5) 1.6785(8) 0.6622(7) 0.075(3) Uani 1 1 d U . .
O13 O 0.5539(4) 1.7706(6) 0.8612(6) 0.105(3) Uani 1 1 d U . .
C24 C 0.6827(5) 1.4936(10) 0.7445(7) 0.085(4) Uani 1 1 d U . .
O14 O 0.6693(9) 1.3648(17) 0.9121(12) 0.085(3) Uani 0.5060(14) 1 d PU . 1
O14' O 0.6628(9) 1.3466(17) 0.9029(13) 0.087(2) Uani 0.4940(14) 1 d PU . 2
O16 O 0.7162(4) 1.3064(8) 0.8382(6) 0.112(3) Uani 1 1 d DU . .
C27 C 0.5268(5) 1.6303(12) 1.0125(8) 0.111(5) Uani 1 1 d U . .
H27A H 0.5193 1.6274 1.0481 0.166 Uiso 1 1 calc R . .
H27B H 0.5106 1.6012 0.9865 0.166 Uiso 1 1 calc R . .
H27C H 0.5235 1.6750 0.9991 0.166 Uiso 1 1 calc R . .
O11 O 0.6098(3) 1.5830(7) 0.9594(5) 0.100(3) Uani 1 1 d DU . .
C29 C 0.5468(8) 1.8723(10) 0.9031(10) 0.114(4) Uani 1 1 d U . .
O17 O 0.7538(4) 1.3780(8) 0.8872(6) 0.108(3) Uani 1 1 d DU . .
C34 C 0.6564(5) 1.4865(10) 0.6886(7) 0.094(5) Uani 1 1 d U . .
H34A H 0.6702 1.5001 0.6602 0.140 Uiso 1 1 calc R . .
H34B H 0.6335 1.5138 0.6868 0.140 Uiso 1 1 calc R . .
H34C H 0.6485 1.4410 0.6827 0.140 Uiso 1 1 calc R . .
O19 O 0.6651(4) 1.2460(7) 0.7455(6) 0.095(3) Uani 1 1 d U . .
O18 O 0.6137(8) 1.1726(12) 0.7022(11) 0.083(3) Uani 0.5060(14) 1 d PU . 1
O18' O 0.6326(8) 1.1685(12) 0.7298(11) 0.085(4) Uani 0.4940(14) 1 d PU . 2
C38 C 0.5558(5) 1.7344(8) 0.6247(8) 0.086(4) Uani 1 1 d U . .
H38A H 0.5721 1.7424 0.5981 0.129 Uiso 1 1 calc R . .
H38B H 0.5549 1.7736 0.6467 0.129 Uiso 1 1 calc R . .
H38C H 0.5297 1.7232 0.6054 0.129 Uiso 1 1 calc R . .
O15 O 0.7374(4) 1.4719(9) 0.9737(5) 0.126(3) Uani 1 1 d DU . .
C47 C 0.5730(5) 1.6145(8) 0.6309(7) 0.082(4) Uani 1 1 d U . .
H47A H 0.5894 1.6191 0.6040 0.122 Uiso 1 1 calc R . .
H47B H 0.5467 1.6036 0.6121 0.122 Uiso 1 1 calc R . .
H47C H 0.5831 1.5798 0.6567 0.122 Uiso 1 1 calc R . .
C46 C 0.5745(8) 1.9225(11) 0.8882(11) 0.144(7) Uani 1 1 d U . .
H46A H 0.5822 1.9529 0.9187 0.216 Uiso 1 1 calc R . .
H46B H 0.5618 1.9464 0.8555 0.216 Uiso 1 1 calc R . .
H46C H 0.5974 1.9005 0.8807 0.216 Uiso 1 1 calc R . .
O12 O 0.511(2) 1.841(3) 0.808(2) 0.101(4) Uani 0.5060(14) 1 d PU . 1
O12' O 0.516(2) 1.841(3) 0.819(2) 0.100(4) Uani 0.4940(14) 1 d PU . 2
C53 C 0.5807(4) 1.6174(8) 0.9657(6) 0.089(3) Uani 1 1 d DU . .
C54 C 0.6266(6) 1.2707(11) 0.9856(8) 0.137(6) Uani 1 1 d DU . .
H54B H 0.6301 1.2541 0.9510 0.164 Uiso 1 1 d R . .
H54C H 0.6506 1.2659 1.0109 0.164 Uiso 1 1 d R . .
H54A H 0.6076 1.2445 0.9979 0.164 Uiso 1 1 d R . .
C58 C 0.6428(5) 1.3808(12) 1.0228(7) 0.133(6) Uani 1 1 d DU . .
H58A H 0.6406 1.3652 1.0591 0.199 Uiso 1 1 calc R . .
H58B H 0.6352 1.4265 1.0189 0.199 Uiso 1 1 calc R . .
H58C H 0.6696 1.3764 1.0185 0.199 Uiso 1 1 calc R . .
C59 C 0.7486(5) 1.3297(9) 0.8570(8) 0.115(3) Uani 1 1 d DU . .
C60 C 0.6171(4) 1.3414(11) 0.9797(7) 0.126(5) Uani 1 1 d DU . .
C61 C 0.5099(8) 1.9087(11) 0.9088(11) 0.147(7) Uani 1 1 d U . .
H61A H 0.5159 1.9395 0.9393 0.220 Uiso 1 1 calc R . .
H61B H 0.4906 1.8774 0.9159 0.220 Uiso 1 1 calc R . .
H61C H 0.4996 1.9322 0.8748 0.220 Uiso 1 1 calc R . .
C62 C 0.5754(4) 1.3518(15) 0.9814(8) 0.136(7) Uani 1 1 d DU . .
H62A H 0.5698 1.3318 1.0145 0.203 Uiso 1 1 calc R . .
H62B H 0.5591 1.3320 0.9490 0.203 Uiso 1 1 calc R . .
H62C H 0.5701 1.3985 0.9817 0.203 Uiso 1 1 calc R . .
C63 C 0.6510(6) 1.2058(9) 0.7118(9) 0.090(3) Uani 1 1 d U . .
C71 C 0.5362(7) 1.8243(10) 0.8575(10) 0.102(3) Uani 1 1 d U . .
C74 C 0.5635(8) 1.8390(11) 0.9559(10) 0.126(6) Uani 1 1 d U . .
H74A H 0.5704 1.8714 0.9850 0.188 Uiso 1 1 calc R . .
H74B H 0.5866 1.8148 0.9520 0.188 Uiso 1 1 calc R . .
H74C H 0.5444 1.8089 0.9653 0.188 Uiso 1 1 calc R . .
C82 C 0.7023(6) 1.1484(10) 0.6797(9) 0.110(5) Uani 1 1 d U . .
H82A H 0.7208 1.1670 0.7104 0.165 Uiso 1 1 calc R . .
H82B H 0.7150 1.1405 0.6490 0.165 Uiso 1 1 calc R . .
H82C H 0.6924 1.1073 0.6910 0.165 Uiso 1 1 calc R . .
C87 C 0.6396(7) 1.1697(11) 0.6142(9) 0.115(5) Uani 1 1 d U . .
H87A H 0.6187 1.2010 0.6031 0.172 Uiso 1 1 calc R . .
H87B H 0.6291 1.1289 0.6250 0.172 Uiso 1 1 calc R . .
H87C H 0.6523 1.1616 0.5834 0.172 Uiso 1 1 calc R . .
C48 C 0.6402(6) 0.9712(11) 0.7550(10) 0.155(7) Uani 1 1 d DU . .
H48A H 0.6595 0.9424 0.7448 0.232 Uiso 1 1 calc R . .
H48B H 0.6386 0.9631 0.7932 0.232 Uiso 1 1 calc R . .
H48C H 0.6476 1.0165 0.7510 0.232 Uiso 1 1 calc R . .
C92 C 0.7182(5) 1.4528(10) 0.7467(7) 0.089(5) Uani 1 1 d U . .
H92A H 0.7316 1.4670 0.7181 0.133 Uiso 1 1 calc R . .
H92B H 0.7108 1.4071 0.7408 0.133 Uiso 1 1 calc R . .
H92C H 0.7354 1.4577 0.7826 0.133 Uiso 1 1 calc R . .
C93 C 0.5803(7) 1.5539(13) 1.0502(9) 0.129(6) Uani 1 1 d U . .
H93A H 0.5711 1.5545 1.0846 0.193 Uiso 1 1 calc R . .
H93B H 0.6085 1.5535 1.0581 0.193 Uiso 1 1 calc R . .
H93C H 0.5705 1.5151 1.0292 0.193 Uiso 1 1 calc R . .
C95 C 0.6849(6) 1.2607(10) 0.6460(8) 0.103(5) Uani 1 1 d U . .
H95A H 0.7042 1.2768 0.6770 0.155 Uiso 1 1 calc R . .
H95B H 0.6641 1.2926 0.6365 0.155 Uiso 1 1 calc R . .
H95C H 0.6969 1.2539 0.6145 0.155 Uiso 1 1 calc R . .
C97 C 0.6684(6) 1.1964(10) 0.6616(9) 0.096(3) Uani 1 1 d U . .
C100 C 0.5665(5) 1.6116(12) 1.0184(7) 0.099(4) Uani 1 1 d U . .
C103 C 0.6135(5) 1.6951(11) 0.6941(9) 0.101(5) Uani 1 1 d U . .
H10A H 0.6305 1.7023 0.6682 0.152 Uiso 1 1 calc R . .
H10B H 0.6235 1.6591 0.7185 0.152 Uiso 1 1 calc R . .
H10C H 0.6126 1.7346 0.7158 0.152 Uiso 1 1 calc R . .
C50 C 0.5724(6) 1.0045(8) 0.7330(8) 0.112(3) Uani 1 1 d DU . .
C146 C 0.6934(6) 1.5647(10) 0.7543(9) 0.108(5) Uani 1 1 d U . .
H14A H 0.7073 1.5796 0.7264 0.162 Uiso 1 1 calc R . .
H14B H 0.7099 1.5697 0.7907 0.162 Uiso 1 1 calc R . .
H14C H 0.6699 1.5905 0.7521 0.162 Uiso 1 1 calc R . .
C150 C 0.5905(7) 1.6698(13) 1.0538(9) 0.133(6) Uani 1 1 d U . .
H15A H 0.5840 1.6716 1.0901 0.200 Uiso 1 1 calc R . .
H15B H 0.5839 1.7112 1.0349 0.200 Uiso 1 1 calc R . .
H15C H 0.6182 1.6617 1.0579 0.200 Uiso 1 1 calc R . .
O25 O 0.6209(5) 1.6667(14) 0.8495(12) 0.093(3) Uani 0.5060(14) 1 d PDU . 1
O26 O 0.6811(6) 1.6386(16) 0.8810(11) 0.110(2) Uani 0.5060(14) 1 d PDU . 1
C75 C 0.6563(6) 1.6839(12) 0.8645(13) 0.103(3) Uani 0.5060(14) 1 d PDU . 1
C4 C 0.6684(5) 1.7533(13) 0.8700(9) 0.107(4) Uani 0.5060(14) 1 d PDU . 1
C36 C 0.6462(10) 1.7909(17) 0.8215(13) 0.117(7) Uani 0.5060(14) 1 d PDU . 1
H36A H 0.6523 1.7736 0.7876 0.175 Uiso 0.5060(14) 1 calc PR . 1
H36B H 0.6535 1.8368 0.8252 0.175 Uiso 0.5060(14) 1 calc PR . 1
H36C H 0.6185 1.7866 0.8201 0.175 Uiso 0.5060(14) 1 calc PR . 1
C37 C 0.7110(8) 1.7584(19) 0.8712(13) 0.110(6) Uani 0.5060(14) 1 d PDU . 1
H37A H 0.7166 1.7396 0.8375 0.165 Uiso 0.5060(14) 1 calc PR . 1
H37B H 0.7254 1.7347 0.9029 0.165 Uiso 0.5060(14) 1 calc PR . 1
H37C H 0.7188 1.8041 0.8738 0.165 Uiso 0.5060(14) 1 calc PR . 1
C77 C 0.6596(9) 1.780(2) 0.9223(13) 0.106(6) Uani 0.5060(14) 1 d PDU . 1
H77A H 0.6736 1.7555 0.9536 0.159 Uiso 0.5060(14) 1 calc PR . 1
H77B H 0.6318 1.7773 0.9210 0.159 Uiso 0.5060(14) 1 calc PR . 1
H77C H 0.6676 1.8260 0.9262 0.159 Uiso 0.5060(14) 1 calc PR . 1
O25' O 0.6293(6) 1.6455(15) 0.8586(13) 0.091(2) Uani 0.4940(14) 1 d PDU . 2
O26' O 0.6839(8) 1.6125(16) 0.9034(11) 0.110(2) Uani 0.4940(14) 1 d PDU . 2
C75' C 0.6635(7) 1.6618(15) 0.8830(13) 0.104(3) Uani 0.4940(14) 1 d PDU . 2
C4' C 0.6816(6) 1.7271(15) 0.8911(9) 0.109(3) Uani 0.4940(14) 1 d PDU . 2
C77' C 0.6768(10) 1.746(2) 0.9451(14) 0.114(7) Uani 0.4940(14) 1 d PDU . 2
H77D H 0.6883 1.7885 0.9543 0.171 Uiso 0.4940(14) 1 calc PR . 2
H77E H 0.6896 1.7137 0.9719 0.171 Uiso 0.4940(14) 1 calc PR . 2
H77F H 0.6493 1.7473 0.9458 0.171 Uiso 0.4940(14) 1 calc PR . 2
C37' C 0.7210(9) 1.716(2) 0.8868(15) 0.127(7) Uani 0.4940(14) 1 d PDU . 2
H37D H 0.7357 1.7560 0.8941 0.190 Uiso 0.4940(14) 1 calc PR . 2
H37E H 0.7217 1.7003 0.8498 0.190 Uiso 0.4940(14) 1 calc PR . 2
H37F H 0.7324 1.6826 0.9136 0.190 Uiso 0.4940(14) 1 calc PR . 2
C36' C 0.6595(11) 1.7652(17) 0.8471(15) 0.119(6) Uani 0.4940(14) 1 d PDU . 2
H36D H 0.6685 1.8102 0.8503 0.178 Uiso 0.4940(14) 1 calc PR . 2
H36E H 0.6322 1.7639 0.8491 0.178 Uiso 0.4940(14) 1 calc PR . 2
H36F H 0.6627 1.7474 0.8119 0.178 Uiso 0.4940(14) 1 calc PR . 2
C127 C 0.7820(4) 1.2927(8) 0.8402(6) 0.122(3) Uani 0.5060(14) 1 d PDU . 1
C39 C 0.8190(5) 1.3279(17) 0.8605(13) 0.129(6) Uani 0.5060(14) 1 d PDU . 1
H39A H 0.8284 1.3461 0.8294 0.193 Uiso 0.5060(14) 1 calc PR . 1
H39B H 0.8382 1.2976 0.8804 0.193 Uiso 0.5060(14) 1 calc PR . 1
H39C H 0.8148 1.3630 0.8851 0.193 Uiso 0.5060(14) 1 calc PR . 1
C2 C 0.7742(10) 1.2885(16) 0.7785(8) 0.138(6) Uani 0.5060(14) 1 d PDU . 1
H2A H 0.7478 1.2732 0.7649 0.206 Uiso 0.5060(14) 1 calc PR . 1
H2B H 0.7923 1.2581 0.7673 0.206 Uiso 0.5060(14) 1 calc PR . 1
H2C H 0.7773 1.3315 0.7632 0.206 Uiso 0.5060(14) 1 calc PR . 1
C3 C 0.7839(5) 1.2255(8) 0.8637(9) 0.129(4) Uani 0.5060(14) 1 d PDU . 1
H3A H 0.8053 1.2017 0.8535 0.193 Uiso 0.5060(14) 1 calc PR . 1
H3B H 0.7597 1.2027 0.8494 0.193 Uiso 0.5060(14) 1 calc PR . 1
H3C H 0.7879 1.2281 0.9037 0.193 Uiso 0.5060(14) 1 calc PR . 1
C227 C 0.7820(4) 1.2927(8) 0.8402(6) 0.122(3) Uani 0.4940(14) 1 d PDU . 2
C2' C 0.7854(13) 1.2948(15) 0.7936(16) 0.137(6) Uani 0.4940(14) 1 d PDU . 2
H2D H 0.7615 1.2803 0.7697 0.206 Uiso 0.4940(14) 1 calc PR . 2
H2E H 0.8066 1.2662 0.7888 0.206 Uiso 0.4940(14) 1 calc PR . 2
H2F H 0.7911 1.3394 0.7842 0.206 Uiso 0.4940(14) 1 calc PR . 2
C39' C 0.8161(9) 1.3203(19) 0.8796(13) 0.126(6) Uani 0.4940(14) 1 d PDU . 2
H39D H 0.8397 1.2987 0.8743 0.190 Uiso 0.4940(14) 1 calc PR . 2
H39E H 0.8129 1.3133 0.9172 0.190 Uiso 0.4940(14) 1 calc PR . 2
H39F H 0.8180 1.3670 0.8730 0.190 Uiso 0.4940(14) 1 calc PR . 2
C3' C 0.7839(5) 1.2255(8) 0.8637(9) 0.129(4) Uani 0.4940(14) 1 d PDU . 2
HD H 0.8058 1.2022 0.8546 0.193 Uiso 0.4940(14) 1 calc PR . 2
HE H 0.7600 1.2022 0.8484 0.193 Uiso 0.4940(14) 1 calc PR . 2
HF H 0.7871 1.2281 0.9036 0.193 Uiso 0.4940(14) 1 calc PR . 2
C44 C 0.6048(7) 0.9690(11) 0.6603(8) 0.149(6) Uani 1 1 d DU . .
H44A H 0.6241 0.9394 0.6509 0.223 Uiso 1 1 calc R . .
H44B H 0.6124 1.0140 0.6554 0.223 Uiso 1 1 calc R . .
H44C H 0.5797 0.9605 0.6364 0.223 Uiso 1 1 calc R . .
C45 C 0.6019(5) 0.9586(7) 0.7187(6) 0.124(4) Uani 1 1 d DU . .
C43 C 0.5901(7) 0.8901(8) 0.7260(9) 0.145(6) Uani 1 1 d DU . .
H43A H 0.6088 0.8603 0.7153 0.218 Uiso 1 1 calc R . .
H43B H 0.5646 0.8822 0.7030 0.218 Uiso 1 1 calc R . .
H43C H 0.5891 0.8827 0.7644 0.218 Uiso 1 1 calc R . .
N1 N 0.5634(7) 1.4110(11) 0.7215(9) 0.057(3) Uani 0.50 1 d PU . 1
O31 O 0.5662(7) 1.3645(11) 0.6929(9) 0.064(4) Uani 0.50 1 d PU . 1
O32 O 0.5607(5) 1.4071(9) 0.7723(8) 0.058(3) Uani 0.50 1 d PU . 1
O33 O 0.5638(6) 1.4675(10) 0.7032(8) 0.056(3) Uani 0.50 1 d PU A 1
N2 N 0.4850(7) 1.3383(12) 0.8171(11) 0.064(3) Uani 0.50 1 d PU . 1
O28 O 0.5142(11) 1.3429(11) 0.8560(15) 0.064(3) Uani 0.50 1 d PU . 1
O29 O 0.4930(6) 1.3219(9) 0.7704(8) 0.063(3) Uani 0.50 1 d PU . 1
O30 O 0.4517(7) 1.3465(11) 0.8224(10) 0.069(4) Uani 0.50 1 d PU . 1
N1' N 0.5249(7) 1.4181(12) 0.8436(10) 0.063(3) Uani 0.50 1 d PU . 2
O31' O 0.5136(8) 1.4619(12) 0.8666(12) 0.069(5) Uani 0.50 1 d PU . 2
O32' O 0.5450(6) 1.4226(9) 0.8063(8) 0.061(3) Uani 0.50 1 d PU . 2
O33' O 0.5174(10) 1.3619(12) 0.8549(15) 0.063(3) Uani 0.50 1 d PU . 2
N2' N 0.5111(7) 1.4947(12) 0.6828(10) 0.060(3) Uani 0.50 1 d PU . 2
O28' O 0.4967(5) 1.5104(8) 0.7262(7) 0.055(3) Uani 0.50 1 d PU . 2
O29' O 0.5484(6) 1.4885(10) 0.6939(9) 0.059(3) Uani 0.50 1 d PU B 2
O30' O 0.4930(8) 1.4880(12) 0.6372(11) 0.068(5) Uani 0.50 1 d PU . 2
O8 O 0.6826(9) 1.507(2) 0.9685(16) 0.123(4) Uani 0.5060(14) 1 d PDU . 1
C42 C 0.7161(8) 1.509(2) 0.9899(19) 0.124(3) Uani 0.5060(14) 1 d PDU . 1
C32 C 0.7291(4) 1.5484(14) 1.0416(15) 0.132(4) Uani 0.5060(14) 1 d PDU . 1
C51 C 0.7251(8) 1.5087(16) 1.0903(14) 0.146(7) Uani 0.5060(14) 1 d PDU . 1
H51A H 0.7414 1.4699 1.0922 0.219 Uiso 0.5060(14) 1 calc PR . 1
H51B H 0.6982 1.4956 1.0869 0.219 Uiso 0.5060(14) 1 calc PR . 1
H51C H 0.7332 1.5345 1.1237 0.219 Uiso 0.5060(14) 1 calc PR . 1
C40 C 0.7041(9) 1.6077(11) 1.0390(13) 0.146(6) Uani 0.5060(14) 1 d PDU . 1
H40A H 0.6777 1.5945 1.0402 0.218 Uiso 0.5060(14) 1 calc PR . 1
H40B H 0.7040 1.6311 1.0048 0.218 Uiso 0.5060(14) 1 calc PR . 1
H40C H 0.7141 1.6360 1.0702 0.218 Uiso 0.5060(14) 1 calc PR . 1
C41 C 0.7702(4) 1.5686(12) 1.0461(8) 0.140(5) Uani 0.5060(14) 1 d PDU . 1
H41A H 0.7853 1.5316 1.0373 0.210 Uiso 0.5060(14) 1 calc PR . 1
H41B H 0.7808 1.5833 1.0835 0.210 Uiso 0.5060(14) 1 calc PR . 1
H41C H 0.7715 1.6041 1.0204 0.210 Uiso 0.5060(14) 1 calc PR . 1
O8' O 0.6803(9) 1.528(2) 0.9602(16) 0.120(3) Uani 0.4940(14) 1 d PDU . 2
C51' C 0.7094(10) 1.563(2) 1.0765(13) 0.136(6) Uani 0.4940(14) 1 d PDU . 2
H51D H 0.7161 1.5199 1.0917 0.205 Uiso 0.4940(14) 1 calc PR . 2
H51E H 0.6813 1.5668 1.0647 0.205 Uiso 0.4940(14) 1 calc PR . 2
H51F H 0.7186 1.5961 1.1046 0.205 Uiso 0.4940(14) 1 calc PR . 2
C32' C 0.7278(5) 1.5740(19) 1.0289(14) 0.134(4) Uani 0.4940(14) 1 d PDU . 2
C40' C 0.7173(11) 1.6397(16) 1.0057(18) 0.150(7) Uani 0.4940(14) 1 d PDU . 2
H40D H 0.7304 1.6477 0.9754 0.224 Uiso 0.4940(14) 1 calc PR . 2
H40E H 0.7253 1.6725 1.0342 0.224 Uiso 0.4940(14) 1 calc PR . 2
H40F H 0.6894 1.6421 0.9924 0.224 Uiso 0.4940(14) 1 calc PR . 2
C42' C 0.7130(8) 1.521(3) 0.9843(18) 0.126(3) Uani 0.4940(14) 1 d PDU . 2
C41' C 0.7702(4) 1.5686(12) 1.0461(8) 0.140(5) Uani 0.4940(14) 1 d PDU . 2
H41D H 0.7821 1.5743 1.0142 0.210 Uiso 0.4940(14) 1 calc PR . 2
H41E H 0.7769 1.5257 1.0622 0.210 Uiso 0.4940(14) 1 calc PR . 2
H41F H 0.7798 1.6022 1.0733 0.210 Uiso 0.4940(14) 1 calc PR . 2
O1W O 0.6743(14) 1.002(2) 1.065(2) 0.21(2) Uiso 0.50 1 d P C 2
H1WA H 0.6601 0.9687 1.0616 0.255 Uiso 0.50 1 d PR C 2
H1WB H 0.6914 1.0074 1.0941 0.255 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'
Ho Ho -0.2175 4.6783 '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 Ho1 O6 169.4(8) . 2_656
O25 Ho1 O13 96.6(9) . .
O6 Ho1 O13 94.0(5) 2_656 .
O25 Ho1 O10 90.5(9) . .
O6 Ho1 O10 92.1(4) 2_656 .
O13 Ho1 O10 79.5(5) . .
O25 Ho1 O3 82.0(9) . .
O6 Ho1 O3 88.6(3) 2_656 .
O13 Ho1 O3 156.7(4) . .
O10 Ho1 O3 77.2(4) . .
O25 Ho1 O2 85.6(8) . .
O6 Ho1 O2 86.5(3) 2_656 .
O13 Ho1 O2 134.5(4) . .
O10 Ho1 O2 146.0(4) . .
O3 Ho1 O2 68.7(3) . .
O25 Ho1 O25' 11.1(14) . .
O6 Ho1 O25' 159.9(8) 2_656 .
O13 Ho1 O25' 105.1(8) . .
O10 Ho1 O25' 85.1(8) . .
O3 Ho1 O25' 71.3(8) . .
O2 Ho1 O25' 84.7(7) . .
O25 Ho1 O4 100.2(9) . .
O6 Ho1 O4 81.7(3) 2_656 .
O13 Ho1 O4 76.0(4) . .
O10 Ho1 O4 154.2(4) . .
O3 Ho1 O4 127.3(3) . .
O2 Ho1 O4 59.1(3) . .
O25' Ho1 O4 108.9(8) . .
O25 Ho1 P1 97.2(8) . .
O6 Ho1 P1 79.2(2) 2_656 .
O13 Ho1 P1 105.9(4) . .
O10 Ho1 P1 169.9(3) . .
O3 Ho1 P1 97.4(2) . .
O2 Ho1 P1 29.6(2) . .
O25' Ho1 P1 101.3(7) . .
O4 Ho1 P1 29.9(2) . .
O25 Ho1 Co1 86.5(7) . .
O6 Ho1 Co1 83.0(2) 2_656 .
O13 Ho1 Co1 169.1(4) . .
O10 Ho1 Co1 111.0(3) . .
O3 Ho1 Co1 34.1(2) . .
O2 Ho1 Co1 35.1(2) . .
O25' Ho1 Co1 79.5(7) . .
O4 Ho1 Co1 93.2(2) . .
P1 Ho1 Co1 63.28(8) . .
O25 Ho1 Ho2 47.9(9) . .
O6 Ho1 Ho2 123.6(2) 2_656 .
O13 Ho1 Ho2 132.1(4) . .
O10 Ho1 Ho2 71.4(3) . .
O3 Ho1 Ho2 35.9(2) . .
O2 Ho1 Ho2 81.2(2) . .
O25' Ho1 Ho2 36.9(8) . .
O4 Ho1 Ho2 132.5(2) . .
P1 Ho1 Ho2 109.25(7) . .
Co1 Ho1 Ho2 56.88(4) . .
O8' Ho2 O7 89.4(14) . .
O8' Ho2 O11 77.3(12) . .
O7 Ho2 O11 93.1(5) . .
O8' Ho2 O26' 61.3(15) . .
O7 Ho2 O26' 148.2(7) . .
O11 Ho2 O26' 92.0(8) . .
O8' Ho2 O25' 111.7(15) . .
O7 Ho2 O25' 156.8(6) . .
O11 Ho2 O25' 82.9(8) . .
O26' Ho2 O25' 55.0(8) . .
O8' Ho2 O3 152.7(11) . .
O7 Ho2 O3 83.4(4) . .
O11 Ho2 O3 76.8(3) . .
O26' Ho2 O3 128.3(7) . .
O25' Ho2 O3 73.4(6) . .
O8' Ho2 O5 136.2(12) . .
O7 Ho2 O5 86.0(4) . .
O11 Ho2 O5 146.4(3) . .
O26' Ho2 O5 106.3(7) . .
O25' Ho2 O5 85.0(8) . .
O3 Ho2 O5 69.7(3) . .
O8' Ho2 O8 10(2) . .
O7 Ho2 O8 79.8(12) . .
O11 Ho2 O8 79.7(11) . .
O26' Ho2 O8 70.3(13) . .
O25' Ho2 O8 121.5(13) . .
O3 Ho2 O8 150.2(10) . .
O5 Ho2 O8 132.8(11) . .
O8' Ho2 O45 77.1(12) . .
O7 Ho2 O45 83.4(4) . .
O11 Ho2 O45 154.2(4) . .
O26' Ho2 O45 78.5(7) . .
O25' Ho2 O45 109.8(7) . .
O3 Ho2 O45 127.8(3) . .
O5 Ho2 O45 59.1(3) . .
O8 Ho2 O45 74.5(11) . .
O8' Ho2 O26 76.5(14) . .
O7 Ho2 O26 161.1(5) . .
O11 Ho2 O26 96.0(7) . .
O26' Ho2 O26 15.3(8) . .
O25' Ho2 O26 41.5(7) . .
O3 Ho2 O26 114.8(5) . .
O5 Ho2 O26 95.4(6) . .
O8 Ho2 O26 85.6(12) . .
O45 Ho2 O26 81.2(6) . .
O8' Ho2 C75' 85.3(15) . .
O7 Ho2 C75' 174.4(6) . .
O11 Ho2 C75' 84.1(8) . .
O26' Ho2 C75' 27.7(4) . .
O25' Ho2 C75' 27.6(5) . .
O3 Ho2 C75' 100.6(5) . .
O5 Ho2 C75' 99.1(7) . .
O8 Ho2 C75' 94.9(13) . .
O45 Ho2 C75' 97.0(7) . .
O26 Ho2 C75' 16.7(7) . .
O8' Ho2 O25 116.0(15) . .
O7 Ho2 O25 151.6(5) . .
O11 Ho2 O25 81.2(7) . .
O26' Ho2 O25 60.2(8) . .
O25' Ho2 O25 5.3(8) . .
O3 Ho2 O25 68.2(5) . .
O5 Ho2 O25 83.9(6) . .
O8 Ho2 O25 125.7(13) . .
O45 Ho2 O25 113.3(6) . .
O26 Ho2 O25 46.8(4) . .
C75' Ho2 O25 32.7(7) . .
O22 Ho3 O9 167.6(7) . .
O22 Ho3 O34 81.7(10) . .
O9 Ho3 O34 90.1(7) . .
O22 Ho3 O14' 93.1(12) . .
O9 Ho3 O14' 84.9(10) . .
O34 Ho3 O14' 129.6(9) . .
O22 Ho3 O16 103.6(8) . .
O9 Ho3 O16 88.0(5) . .
O34 Ho3 O16 152.0(5) . .
O14' Ho3 O16 78.0(9) . .
O22 Ho3 O19 91.0(8) . .
O9 Ho3 O19 95.5(4) . .
O34 Ho3 O19 73.2(4) . .
O14' Ho3 O19 157.2(9) . .
O16 Ho3 O19 79.2(5) . .
O22 Ho3 O46 80.6(7) . .
O9 Ho3 O46 88.1(4) . .
O34 Ho3 O46 72.6(4) . .
O14' Ho3 O46 57.2(9) . .
O16 Ho3 O46 135.2(5) . .
O19 Ho3 O46 145.6(5) . .
O22 Ho3 O34' 83.6(10) . .
O9 Ho3 O34' 87.2(7) . .
O34 Ho3 O34' 6.8(5) . .
O14' Ho3 O34' 123.1(10) . .
O16 Ho3 O34' 157.8(7) . .
O19 Ho3 O34' 79.7(6) . .
O46 Ho3 O34' 66.3(6) . .
O22 Ho3 O38' 32.3(9) . .
O9 Ho3 O38' 156.7(7) . .
O34 Ho3 O38' 113.2(9) . .
O14' Ho3 O38' 78.8(11) . .
O16 Ho3 O38' 72.4(7) . .
O19 Ho3 O38' 93.1(7) . .
O46 Ho3 O38' 96.9(6) . .
O34' Ho3 O38' 115.7(9) . .
O22 Ho3 O14 98.8(11) . .
O9 Ho3 O14 79.9(8) . .
O34 Ho3 O14 133.0(7) . .
O14' Ho3 O14 6.3(16) . .
O16 Ho3 O14 74.0(8) . .
O19 Ho3 O14 153.0(8) . .
O46 Ho3 O14 61.3(8) . .
O34' Ho3 O14 126.2(8) . .
O38' Ho3 O14 82.5(10) . .
O22 Ho3 O22' 22.2(8) . .
O9 Ho3 O22' 150.5(5) . .
O34 Ho3 O22' 60.5(8) . .
O14' Ho3 O22' 111.3(11) . .
O16 Ho3 O22' 118.7(6) . .
O19 Ho3 O22' 78.9(6) . .
O46 Ho3 O22' 81.3(5) . .
O34' Ho3 O22' 63.3(8) . .
O38' Ho3 O22' 52.7(5) . .
O14 Ho3 O22' 117.5(9) . .
O22 Ho3 C81' 9.2(9) . .
O9 Ho3 C81' 176.4(6) . .
O34 Ho3 C81' 86.7(8) . .
O14' Ho3 C81' 95.9(11) . .
O16 Ho3 C81' 95.6(6) . .
O19 Ho3 C81' 85.1(7) . .
O46 Ho3 C81' 89.4(7) . .
O34' Ho3 C81' 89.4(8) . .
O38' Ho3 C81' 26.4(4) . .
O14 Ho3 C81' 101.1(10) . .
O22' Ho3 C81' 26.2(3) . .
O36 Ho4 O34 76.7(8) 2_656 .
O36 Ho4 O38 159.2(8) 2_656 .
O34 Ho4 O38 123.8(9) . .
O36 Ho4 O18 73.6(8) 2_656 .
O34 Ho4 O18 72.7(7) . .
O38 Ho4 O18 113.8(8) . .
O36 Ho4 O20 77.9(13) 2_656 .
O34 Ho4 O20 140.6(13) . .
O38 Ho4 O20 86.0(13) . .
O18 Ho4 O20 71.5(13) . .
O36 Ho4 O23 68.8(7) 2_656 .
O34 Ho4 O23 74.9(4) . .
O38 Ho4 O23 110.3(7) . .
O18 Ho4 O23 134.7(8) . .
O20 Ho4 O23 122.0(13) . .
O36 Ho4 O22 146.8(6) 2_656 .
O34 Ho4 O22 70.5(8) . .
O38 Ho4 O22 53.3(6) . .
O18 Ho4 O22 100.7(9) . .
O20 Ho4 O22 132.3(13) . .
O23 Ho4 O22 97.3(7) . .
O36 Ho4 O21 64.9(7) 2_656 .
O34 Ho4 O21 124.1(5) . .
O38 Ho4 O21 97.0(7) . .
O18 Ho4 O21 126.9(8) . .
O20 Ho4 O21 68.8(12) . .
O23 Ho4 O21 54.5(6) . .
O22 Ho4 O21 132.0(7) . .
O36 Ho4 C81 173.2(6) 2_656 .
O34 Ho4 C81 97.0(8) . .
O38 Ho4 C81 26.8(4) . .
O18 Ho4 C81 107.4(8) . .
O20 Ho4 C81 108.9(13) . .
O23 Ho4 C81 107.2(6) . .
O22 Ho4 C81 26.7(3) . .
O21 Ho4 C81 117.8(6) . .
O36 Ho4 P4 65.4(5) 2_656 .
O34 Ho4 P4 99.8(2) . .
O38 Ho4 P4 103.9(6) . .
O18 Ho4 P4 138.8(7) . .
O20 Ho4 P4 96.4(12) . .
O23 Ho4 P4 26.7(3) . .
O22 Ho4 P4 115.0(5) . .
O21 Ho4 P4 27.9(3) . .
C81 Ho4 P4 113.7(3) . .
O36 Ho4 Co3 73.8(5) 2_656 .
O34 Ho4 Co3 39.22(16) . .
O38 Ho4 Co3 118.6(6) . .
O18 Ho4 Co3 109.0(6) . .
O20 Ho4 Co3 150.0(12) . .
O23 Ho4 Co3 36.5(4) . .
O22 Ho4 Co3 77.6(4) . .
O21 Ho4 Co3 90.0(3) . .
C81 Ho4 Co3 99.7(4) . .
P4 Ho4 Co3 62.80(15) . .
O36 Ho4 Ho3 114.3(5) 2_656 .
O34 Ho4 Ho3 37.9(6) . .
O38 Ho4 Ho3 86.4(6) . .
O18 Ho4 Ho3 80.6(7) . .
O20 Ho4 Ho3 145.0(12) . .
O23 Ho4 Ho3 92.6(4) . .
O22 Ho4 Ho3 33.8(4) . .
O21 Ho4 Ho3 146.1(3) . .
C81 Ho4 Ho3 59.7(4) . .
P4 Ho4 Ho3 118.62(15) . .
Co3 Ho4 Ho3 59.60(5) . .
Co3 O34 Ho3 102.2(6) . .
Co3 O34 Ho4 101.2(6) . .
Ho3 O34 Ho4 104.2(12) . .
Co3 O34 H34D 115.7 . .
Ho3 O34 H34D 115.7 . .
Ho4 O34 H34D 115.7 . .
O22 C81 O38 118(2) . .
O22 C81 C90 128(2) . .
O38 C81 C90 114.6(8) . .
O22 C81 Ho4 63.8(15) . .
O38 C81 Ho4 54.2(10) . .
C90 C81 Ho4 166.9(9) . .
C81 C90 C85 108.4(9) . .
C81 C90 C91 109.4(10) . .
C85 C90 C91 110.0(9) . .
C81 C90 C88 108.9(8) . .
C85 C90 C88 110.1(9) . .
C91 C90 C88 110.0(8) . .
C81 O22 Ho3 159.2(17) . .
C81 O22 Ho4 89.5(16) . .
Ho3 O22 Ho4 101.0(9) . .
C81 O38 Ho4 99.0(13) . .
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 . .
O23 P4 O21 101.9(11) . .
O23 P4 O36 116.2(12) . .
O21 P4 O36 110.9(13) . .
O23 P4 C55 109.2(10) . .
O21 P4 C55 109.7(10) . .
O36 P4 C55 108.7(10) . .
O23 P4 Ho4 46.0(7) . .
O21 P4 Ho4 56.1(8) . .
O36 P4 Ho4 133.1(8) . .
C55 P4 Ho4 118.1(6) . .
P4 O23 Co3 152.8(12) . .
P4 O23 Ho4 107.3(9) . .
Co3 O23 Ho4 97.3(6) . .
P4 O21 Co5 137.4(15) . .
P4 O21 Ho4 96.1(10) . .
Co5 O21 Ho4 120.7(8) . .
P4 O36 Ho4 148.4(12) . 2_656
C57 C55 C80 110.2(13) . .
C57 C55 C56 110.2(13) . .
C80 C55 C56 110.0(13) . .
C57 C55 P4 108.9(13) . .
C80 C55 P4 108.8(13) . .
C56 C55 P4 108.7(13) . .
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 . .
C50 O24 Co5 111(2) . .
O20' Ho4' O36' 109.6(13) . 2_656
O20' Ho4' O22' 87.8(14) . .
O36' Ho4' O22' 161.7(8) 2_656 .
O20' Ho4' O21' 74.7(14) . .
O36' Ho4' O21' 102.8(8) 2_656 .
O22' Ho4' O21' 86.9(9) . .
O20' Ho4' O34' 148.8(15) . .
O36' Ho4' O34' 92.5(9) 2_656 .
O22' Ho4' O34' 69.2(10) . .
O21' Ho4' O34' 122.6(8) . .
O20' Ho4' O18' 74.9(15) . .
O36' Ho4' O18' 113.3(8) 2_656 .
O22' Ho4' O18' 64.8(9) . .
O21' Ho4' O18' 138.8(8) . .
O34' Ho4' O18' 76.3(8) . .
O20' Ho4' O23' 126.0(13) . .
O36' Ho4' O23' 105.9(7) 2_656 .
O22' Ho4' O23' 65.7(7) . .
O21' Ho4' O23' 58.6(7) . .
O34' Ho4' O23' 64.0(7) . .
O18' Ho4' O23' 124.5(9) . .
O20' Ho4' P4' 105.5(13) . .
O36' Ho4' P4' 96.1(5) 2_656 .
O22' Ho4' P4' 84.2(6) . .
O21' Ho4' P4' 31.0(5) . .
O34' Ho4' P4' 93.2(6) . .
O18' Ho4' P4' 148.9(7) . .
O23' Ho4' P4' 30.8(5) . .
O20' Ho4' Co5 61.2(14) . .
O36' Ho4' Co5 72.2(5) 2_656 .
O22' Ho4' Co5 123.1(6) . .
O21' Ho4' Co5 41.7(7) . .
O34' Ho4' Co5 149.5(5) . .
O18' Ho4' Co5 133.8(6) . .
O23' Ho4' Co5 94.2(5) . .
P4' Ho4' Co5 63.4(2) . .
O20' Ho4' Co3 160.2(12) . .
O36' Ho4' Co3 88.0(5) 2_656 .
O22' Ho4' Co3 75.9(6) . .
O21' Ho4' Co3 93.0(5) . .
O34' Ho4' Co3 32.0(5) . .
O18' Ho4' Co3 107.2(6) . .
O23' Ho4' Co3 36.4(4) . .
P4' Ho4' Co3 62.28(18) . .
Co5 Ho4' Co3 118.96(6) . .
Co3 O34' Ho4' 105.8(10) . .
Co3 O34' Ho3 105.2(11) . .
Ho4' O34' Ho3 114.6(11) . .
Co3 O34' H34E 110.3 . .
Ho4' O34' H34E 110.3 . .
Ho3 O34' H34E 110.3 . .
O22' C81' O38' 128(3) . .
O22' C81' C90' 121(2) . .
O38' C81' C90' 108.8(18) . .
O22' C81' Ho3 69.8(17) . .
O38' C81' Ho3 57.8(14) . .
C90' C81' Ho3 158.0(16) . .
C81' O22' Ho4' 164(2) . .
C81' O22' Ho3 83.9(17) . .
Ho4' O22' Ho3 108.2(8) . .
C81' O38' Ho3 95.8(17) . .
C81' C90' C85' 111.7(11) . .
C81' C90' C91' 111.6(11) . .
C85' C90' C91' 107.3(12) . .
C81' C90' C88' 111.6(10) . .
C85' C90' C88' 107.1(12) . .
C91' C90' C88' 107.1(11) . .
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 . .
O23' P4' O21' 103.1(12) . .
O23' P4' O36' 114.0(11) . .
O21' P4' O36' 112.7(14) . .
O23' P4' C55' 110.3(11) . .
O21' P4' C55' 107.6(10) . .
O36' P4' C55' 108.8(9) . .
O23' P4' Ho4' 58.1(8) . .
O21' P4' Ho4' 52.6(7) . .
O36' P4' Ho4' 105.6(8) . .
C55' P4' Ho4' 145.1(6) . .
P4' O23' Co3 137.5(12) . .
P4' O23' Ho4' 91.1(11) . .
Co3 O23' Ho4' 96.5(7) . .
P4' O21' Co5 123.2(13) . .
P4' O21' Ho4' 96.3(10) . .
Co5 O21' Ho4' 93.9(8) . .
C50 O24' Co5 116(2) . .
P4' O36' Ho4' 145.9(12) . 2_656
C80' C55' C56' 110.8(13) . .
C80' C55' C57' 110.8(13) . .
C56' C55' C57' 110.6(13) . .
C80' C55' P4' 108.3(13) . .
C56' C55' P4' 108.1(14) . .
C57' C55' P4' 108.1(13) . .
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 . .
O3 Co1 O2 81.4(4) . .
O3 Co1 O5 82.9(4) . .
O2 Co1 O5 96.0(4) . .
O3 Co1 O29' 170.0(7) . .
O2 Co1 O29' 90.7(7) . .
O5 Co1 O29' 104.2(7) . .
O3 Co1 O33 170.3(7) . .
O2 Co1 O33 103.7(6) . .
O5 Co1 O33 88.3(6) . .
O29' Co1 O33 19.4(6) . .
O3 Co1 O28' 88.5(5) . 2_656
O2 Co1 O28' 94.6(5) . 2_656
O5 Co1 O28' 165.1(6) . 2_656
O29' Co1 O28' 86.0(8) . 2_656
O33 Co1 O28' 99.3(8) . 2_656
O3 Co1 O32' 91.3(6) . .
O2 Co1 O32' 160.4(5) . .
O5 Co1 O32' 101.1(6) . .
O29' Co1 O32' 94.2(8) . .
O33 Co1 O32' 86.4(8) . .
O28' Co1 O32' 66.8(7) 2_656 .
O3 Co1 O32 115.9(6) . .
O2 Co1 O32 162.6(5) . .
O5 Co1 O32 87.3(6) . .
O29' Co1 O32 72.0(8) . .
O33 Co1 O32 59.3(7) . .
O28' Co1 O32 85.6(7) 2_656 .
O32' Co1 O32 29.9(6) . .
O3 Co1 O28' 114.7(5) . .
O2 Co1 O28' 86.6(5) . .
O5 Co1 O28' 162.4(5) . .
O29' Co1 O28' 58.3(7) . .
O33 Co1 O28' 74.2(7) . .
O28' Co1 O28' 29.0(8) 2_656 .
O32' Co1 O28' 79.9(7) . .
O32 Co1 O28' 85.3(7) . .
O3 Co1 Ho2 40.6(3) . .
O2 Co1 Ho2 94.1(3) . .
O5 Co1 Ho2 43.0(3) . .
O29' Co1 Ho2 147.2(6) . .
O33 Co1 Ho2 130.0(6) . .
O28' Co1 Ho2 125.8(5) 2_656 .
O32' Co1 Ho2 92.0(5) . .
O32 Co1 Ho2 99.9(5) . .
O28' Co1 Ho2 154.3(4) . .
O3 Co1 Ho1 39.7(3) . .
O2 Co1 Ho1 42.3(2) . .
O5 Co1 Ho1 94.1(3) . .
O29' Co1 Ho1 131.5(6) . .
O33 Co1 Ho1 145.9(6) . .
O28' Co1 Ho1 86.8(5) 2_656 .
O32' Co1 Ho1 126.1(5) . .
O32 Co1 Ho1 154.7(5) . .
O28' Co1 Ho1 99.4(4) . .
Ho2 Co1 Ho1 65.75(4) . .
O12 Co2 O12 104(5) 2_656 .
O12 Co2 O4 111(2) 2_656 2_656
O12 Co2 O4 115(3) . 2_656
O12 Co2 O4 115(3) 2_656 .
O12 Co2 O4 111(2) . .
O4 Co2 O4 100.5(5) 2_656 .
O12 Co2 O12' 108.6(9) 2_656 .
O12 Co2 O12' 5(4) . .
O4 Co2 O12' 115(2) 2_656 .
O4 Co2 O12' 106(2) . .
O12 Co2 O12' 5(4) 2_656 2_656
O12 Co2 O12' 108.6(9) . 2_656
O4 Co2 O12' 106(2) 2_656 2_656
O4 Co2 O12' 115(2) . 2_656
O12' Co2 O12' 113(4) . 2_656
O34' Co3 O46 84.0(9) . .
O34' Co3 O28 173.7(10) . .
O46 Co3 O28 98.2(12) . .
O34' Co3 O23 85.1(9) . .
O46 Co3 O23 107.4(7) . .
O28 Co3 O23 88.6(8) . .
O34' Co3 O23' 83.1(10) . .
O46 Co3 O23' 85.9(8) . .
O28 Co3 O23' 91.1(8) . .
O23 Co3 O23' 21.4(7) . .
O34' Co3 O33' 174.9(10) . .
O46 Co3 O33' 95.0(11) . .
O28 Co3 O33' 11.4(11) . .
O23 Co3 O33' 100.0(9) . .
O23' Co3 O33' 101.8(9) . .
O34' Co3 O29 116.2(10) . .
O46 Co3 O29 159.7(6) . .
O28 Co3 O29 62.0(13) . .
O23 Co3 O29 78.6(7) . .
O23' Co3 O29 98.5(8) . .
O33' Co3 O29 64.7(12) . .
O34' Co3 O32 87.1(9) . .
O46 Co3 O32 92.4(6) . .
O28 Co3 O32 98.6(8) . .
O23 Co3 O32 157.8(8) . .
O23' Co3 O32 170.3(7) . .
O33' Co3 O32 87.9(8) . .
O29 Co3 O32 86.4(7) . .
O34' Co3 O34 4.1(15) . .
O46 Co3 O34 80.1(7) . .
O28 Co3 O34 172.4(10) . .
O23 Co3 O34 84.8(6) . .
O23' Co3 O34 81.4(8) . .
O33' Co3 O34 174.0(10) . .
O29 Co3 O34 120.1(8) . .
O32 Co3 O34 88.8(7) . .
O34' Co3 O32' 116.7(9) . .
O46 Co3 O32' 90.0(6) . .
O28 Co3 O32' 69.3(8) . .
O23 Co3 O32' 154.0(7) . .
O23' Co3 O32' 159.2(7) . .
O33' Co3 O32' 58.2(8) . .
O29 Co3 O32' 78.8(7) . .
O32 Co3 O32' 30.1(6) . .
O34 Co3 O32' 117.9(7) . .
O34' Co3 O29 87.1(10) . 2_656
O46 Co3 O29 162.4(5) . 2_656
O28 Co3 O29 92.3(12) . 2_656
O23 Co3 O29 86.9(7) . 2_656
O23' Co3 O29 108.1(8) . 2_656
O33' Co3 O29 92.5(12) . 2_656
O29 Co3 O29 31.5(8) . 2_656
O32 Co3 O29 72.0(7) . 2_656
O34 Co3 O29 91.2(8) . 2_656
O32' Co3 O29 80.5(7) . 2_656
O34' Co3 Ho4 40.7(8) . .
O46 Co3 Ho4 87.3(3) . .
O28 Co3 Ho4 133.3(7) . .
O23 Co3 Ho4 46.2(5) . .
O23' Co3 Ho4 42.8(5) . .
O33' Co3 Ho4 144.4(7) . .
O29 Co3 Ho4 109.5(5) . .
O32 Co3 Ho4 127.6(4) . .
O34 Co3 Ho4 39.5(5) . .
O32' Co3 Ho4 157.4(5) . .
O29 Co3 Ho4 95.8(4) 2_656 .
O14 Co4 O17 114.9(11) . .
O14 Co4 O15 124.0(10) . .
O17 Co4 O15 101.0(6) . .
O14 Co4 O45 96.4(11) . .
O17 Co4 O45 112.0(5) . .
O15 Co4 O45 108.6(6) . .
O14 Co4 O14' 7.7(15) . .
O17 Co4 O14' 108.4(10) . .
O15 Co4 O14' 131.1(9) . .
O45 Co4 O14' 95.6(10) . .
O21 Co5 O21 78.8(14) . 2_656
O21 Co5 O24 123.6(13) . .
O21 Co5 O24 112.2(11) 2_656 .
O21 Co5 O24 112.2(11) . 2_656
O21 Co5 O24 123.6(13) 2_656 2_656
O24 Co5 O24 106.0(18) . 2_656
O21 Co5 O24' 130.2(10) . 2_656
O21 Co5 O24' 107.9(12) 2_656 2_656
O24 Co5 O24' 100.1(9) . 2_656
O24 Co5 O24' 23.5(14) 2_656 2_656
O21 Co5 O24' 107.9(12) . .
O21 Co5 O24' 130.2(10) 2_656 .
O24 Co5 O24' 23.5(13) . .
O24 Co5 O24' 100.1(9) 2_656 .
O24' Co5 O24' 103.9(18) 2_656 .
O21 Co5 O21' 17.6(7) . .
O21 Co5 O21' 95.5(9) 2_656 .
O24 Co5 O21' 111.8(12) . .
O24 Co5 O21' 107.3(11) 2_656 .
O24' Co5 O21' 129.4(10) 2_656 .
O24' Co5 O21' 92.8(11) . .
O21 Co5 O21' 95.5(9) . 2_656
O21 Co5 O21' 17.6(7) 2_656 2_656
O24 Co5 O21' 107.3(11) . 2_656
O24 Co5 O21' 111.8(12) 2_656 2_656
O24' Co5 O21' 92.8(11) 2_656 2_656
O24' Co5 O21' 129.4(10) . 2_656
O21' Co5 O21' 112.7(9) . 2_656
O21 Co5 Ho4' 41.4(6) . .
O21 Co5 Ho4' 69.0(7) 2_656 .
O24 Co5 Ho4' 89.0(10) . .
O24 Co5 Ho4' 151.7(10) 2_656 .
O24' Co5 Ho4' 170.8(8) 2_656 .
O24' Co5 Ho4' 84.1(9) . .
O21' Co5 Ho4' 44.5(5) . .
O21' Co5 Ho4' 85.3(5) 2_656 .
O21 Co5 Ho4' 68.9(7) . 2_656
O21 Co5 Ho4' 41.4(6) 2_656 2_656
O24 Co5 Ho4' 151.7(10) . 2_656
O24 Co5 Ho4' 89.0(10) 2_656 2_656
O24' Co5 Ho4' 84.1(9) 2_656 2_656
O24' Co5 Ho4' 170.8(8) . 2_656
O21' Co5 Ho4' 85.3(5) . 2_656
O21' Co5 Ho4' 44.5(5) 2_656 2_656
Ho4' Co5 Ho4' 88.26(10) . 2_656
O6 P1 O2 114.4(5) . .
O6 P1 O4 112.8(5) . .
O2 P1 O4 102.3(6) . .
O6 P1 C21 106.7(7) . .
O2 P1 C21 109.8(6) . .
O4 P1 C21 110.8(7) . .
O6 P1 Ho1 120.7(4) . .
O2 P1 Ho1 50.5(3) . .
O4 P1 Ho1 53.0(4) . .
C21 P1 Ho1 132.6(6) . .
O9 P2 O5 113.9(7) . .
O9 P2 O45 112.5(7) . .
O5 P2 O45 102.6(6) . .
O9 P2 C24 108.8(8) . .
O5 P2 C24 110.8(7) . .
O45 P2 C24 108.0(8) . .
O9 P2 Ho2 120.6(4) . .
O5 P2 Ho2 51.0(4) . .
O45 P2 Ho2 52.6(4) . .
C24 P2 Ho2 130.5(7) . .
O14 P3 C60 109.1(17) . .
O14 P3 Ho3 56.4(11) . .
C60 P3 Ho3 123.3(11) . .
O46 P3' O14' 100.1(16) . .
O46 P3' O7 115.8(15) . .
O14' P3' O7 110.8(18) . .
O46 P3' C60 118.0(15) . .
O14' P3' C60 109.3(17) . .
O7 P3' C60 102.9(12) . .
O46 P3' Ho3 52.4(7) . .
O14' P3' Ho3 48.7(12) . .
O7 P3' Ho3 119.6(10) . .
C60 P3' Ho3 136.4(11) . .
P1 O2 Co1 147.8(6) . .
P1 O2 Ho1 99.9(4) . .
Co1 O2 Ho1 102.6(4) . .
Co1 O3 Ho1 106.2(4) . .
Co1 O3 Ho2 104.9(3) . .
Ho1 O3 Ho2 108.5(4) . .
Co1 O3 H3D 112.3 . .
Ho1 O3 H3D 112.3 . .
Ho2 O3 H3D 112.3 . .
P1 O4 Co2 127.0(6) . .
P1 O4 Ho1 97.1(5) . .
Co2 O4 Ho1 110.1(4) . .
P2 O5 Co1 146.2(8) . .
P2 O5 Ho2 99.4(5) . .
Co1 O5 Ho2 101.3(4) . .
P1 O6 Ho1 149.8(6) . 2_656
P3' O7 Ho2 148.0(9) . .
P2 O9 Ho3 147.3(7) . .
C53 O10 Ho1 135.7(9) . .
P3' O46 Co3 147.6(11) . .
P3' O46 Ho3 100.6(10) . .
Co3 O46 Ho3 103.7(4) . .
P2 O45 Co4 131.3(8) . .
P2 O45 Ho2 97.4(5) . .
Co4 O45 Ho2 108.7(4) . .
C50 O20 Ho4 151(3) . .
C50 O20' Ho4' 143(4) . .
C38 C21 C47 112.4(15) . .
C38 C21 C103 110.8(15) . .
C47 C21 C103 110.3(15) . .
C38 C21 P1 109.0(10) . .
C47 C21 P1 106.6(10) . .
C103 C21 P1 107.5(12) . .
C71 O13 Ho1 152.4(16) . .
C92 C24 C146 110.7(17) . .
C92 C24 C34 109.3(14) . .
C146 C24 C34 109.1(16) . .
C92 C24 P2 110.2(12) . .
C146 C24 P2 109.4(12) . .
C34 C24 P2 108.1(13) . .
P3 O14 Co4 133(2) . .
P3 O14 Ho3 94.1(13) . .
Co4 O14 Ho3 111.0(14) . .
P3' O14' Co4 126(2) . .
P3' O14' Ho3 100.7(16) . .
Co4 O14' Ho3 112.3(15) . .
C59 O16 Ho3 158.9(13) . .
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 Ho2 138.6(10) . .
C74 C29 C71 111.1(19) . .
C74 C29 C46 112(2) . .
C71 C29 C46 109.6(18) . .
C74 C29 C61 109.4(19) . .
C71 C29 C61 108(2) . .
C46 C29 C61 107(2) . .
C59 O17 Co4 120.1(12) . .
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 Ho3 138.4(11) . .
C63 O18 Ho4 113.2(17) . .
C63 O18' Ho4' 138.1(18) . .
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' 10(3) . .
C42 O15 Co4 112(2) . .
C42' O15 Co4 109.4(19) . .
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 123(4) . .
C71 O12' Co2 124(5) . .
O11 C53 O10 121.7(14) . .
O11 C53 C100 118.8(14) . .
O10 C53 C100 119.4(12) . .
C60 C54 H54B 109.1 . .
C60 C54 H54C 108.5 . .
H54B C54 H54C 107.1 . .
C60 C54 H54A 114.8 . .
H54B C54 H54A 108.6 . .
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 123.3(18) . .
O17 C59 C127 122.5(13) . .
O16 C59 C127 114.2(13) . .
C54 C60 C58 111.5(17) . .
C54 C60 C62 109.9(19) . .
C58 C60 C62 111.2(16) . .
C54 C60 P3 113.7(13) . .
C58 C60 P3 101.9(13) . .
C62 C60 P3 108.5(14) . .
C54 C60 P3' 104.3(13) . .
C58 C60 P3' 113.8(14) . .
C62 C60 P3' 105.8(13) . .
P3 C60 P3' 12.4(10) . .
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 112(2) . .
O18' C63 O18 36.0(16) . .
O19 C63 O18 131.4(16) . .
O18' C63 C97 126(2) . .
O19 C63 C97 118.7(18) . .
O18 C63 C97 108(2) . .
O12' C71 O13 124(4) . .
O12' C71 O12 4(6) . .
O13 C71 O12 120(3) . .
O12' C71 C29 117(4) . .
O13 C71 C29 119(3) . .
O12 C71 C29 121(3) . .
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 . .
C87 C97 C63 111.9(18) . .
C87 C97 C95 110.5(18) . .
C63 C97 C95 110.0(17) . .
C87 C97 C82 110.8(18) . .
C63 C97 C82 105.2(16) . .
C95 C97 C82 108.2(17) . .
C27 C100 C93 119(2) . .
C27 C100 C53 112.8(16) . .
C93 C100 C53 113.9(15) . .
C27 C100 C150 104.5(18) . .
C93 C100 C150 103.0(18) . .
C53 C100 C150 100.7(17) . .
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 124(3) . .
O24' C50 O20' 122(3) . .
O20 C50 O20' 18(4) . .
O24' C50 O24 34(2) . .
O20 C50 O24 113(3) . .
O20' C50 O24 124(3) . .
O24' C50 C45 117(2) . .
O20 C50 C45 120(3) . .
O20' C50 C45 116(2) . .
O24 C50 C45 118.8(15) . .
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 Ho1 161(2) . .
C75 O25 Ho2 94.3(14) . .
Ho1 O25 Ho2 98.0(11) . .
C75 O26 Ho2 100.6(14) . .
O25 C75 O26 117.0(13) . .
O25 C75 C4 122.5(18) . .
O26 C75 C4 120.1(18) . .
C75 C4 C37 109.6(15) . .
C75 C4 C77 109.1(15) . .
C37 C4 C77 110.0(15) . .
C75 C4 C36 108.9(15) . .
C37 C4 C36 109.5(15) . .
C77 C4 C36 109.6(15) . .
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' Ho2 95(2) . .
C75' O25' Ho1 150(2) . .
Ho2 O25' Ho1 103.8(11) . .
C75' O26' Ho2 96.3(19) . .
O25' C75' O26' 112(3) . .
O25' C75' C4' 130(2) . .
O26' C75' C4' 118(2) . .
O25' C75' Ho2 57.1(18) . .
O26' C75' Ho2 56.1(16) . .
C4' C75' Ho2 168.3(16) . .
C37' C4' C36' 114.6(14) . .
C37' C4' C77' 114.4(14) . .
C36' C4' C77' 114.7(14) . .
C37' C4' C75' 103.8(18) . .
C36' C4' C75' 103.6(18) . .
C77' C4' C75' 103.7(18) . .
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 110.4(12) . .
C39 C127 C2 109.8(12) . .
C3 C127 C2 109.3(12) . .
C39 C127 C59 109.8(12) . .
C3 C127 C59 109.0(11) . .
C2 C127 C59 108.5(12) . .
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 . .
C48 C45 C43 109.5(11) . .
C48 C45 C44 109.3(11) . .
C43 C45 C44 109.4(10) . .
C48 C45 C50 109.6(11) . .
C43 C45 C50 109.7(11) . .
C44 C45 C50 109.3(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 121(2) . .
O31 N1 O32 124(2) . .
O33 N1 O32 115(2) . .
O31 N1 O30 22.2(14) . 2_656
O33 N1 O30 120(2) . 2_656
O32 N1 O30 119.7(19) . 2_656
O30 O31 N1 121(4) 2_656 .
N1 O32 Co3 121.6(16) . .
N1 O32 Co1 88.0(14) . .
Co3 O32 Co1 150.1(9) . .
N1 O33 Co1 97.5(16) . .
O30 N2 O28 124(3) . .
O30 N2 O29 122(3) . .
O28 N2 O29 114(2) . .
N2 O28 Co3 95(2) . .
O29 O29 N2 162(2) 2_656 .
O29 O29 Co3 82(2) 2_656 .
N2 O29 Co3 88.8(17) . .
O29 O29 Co3 66.6(19) 2_656 2_656
N2 O29 Co3 123.8(17) . 2_656
Co3 O29 Co3 147.4(8) . 2_656
O31 O30 N2 137(4) 2_656 .
O31 O30 N1 37(2) 2_656 2_656
N2 O30 N1 102.5(19) . 2_656
O31' N1' O33' 120(3) . .
O31' N1' O32' 126(3) . .
O33' N1' O32' 114(2) . .
O31' N1' O30' 12.5(19) . 2_656
O33' N1' O30' 129(2) . 2_656
O32' N1' O30' 116(2) . 2_656
O30' O31' N1' 142(6) 2_656 .
O30' O31' N2' 47(4) 2_656 2_656
N1' O31' N2' 98(2) . 2_656
N1' O32' Co1 123.3(16) . .
N1' O32' Co3 88.6(15) . .
Co1 O32' Co3 147.5(9) . .
N1' O33' Co3 98(2) . .
O30' N2' O29' 121(2) . .
O30' N2' O28' 126(3) . .
O29' N2' O28' 113(2) . .
O30' N2' O31' 20.9(16) . 2_656
O29' N2' O31' 121(2) . 2_656
O28' N2' O31' 121(2) . 2_656
O28' O28' N2' 143(3) 2_656 .
O28' O28' Co1 90.4(18) 2_656 2_656
N2' O28' Co1 123.4(16) . 2_656
O28' O28' Co1 60.6(16) 2_656 .
N2' O28' Co1 86.3(14) . .
Co1 O28' Co1 150.3(8) 2_656 .
N2' O29' Co1 102.0(15) . .
O31' O30' N2' 112(6) 2_656 .
O31' O30' N1' 26(4) 2_656 2_656
N2' O30' N1' 89(2) . 2_656
C42 O8 Ho2 147(4) . .
O15 C42 O8 118(4) . .
O15 C42 C32 122(3) . .
O8 C42 C32 119(3) . .
C51 C32 C41 110.2(19) . .
C51 C32 C40 109.1(19) . .
C41 C32 C40 109.6(19) . .
C51 C32 C42 109(2) . .
C41 C32 C42 109.5(19) . .
C40 C32 C42 109.1(19) . .
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' Ho2 157(4) . .
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' 109(2) . .
C40' C32' C42' 109(2) . .
C51' C32' C42' 109(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 124(5) . .
O8' C42' C32' 116(4) . .
O15 C42' C32' 121(2) . .
H1WA O1W H1WB 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O25 2.129(18) .
Ho1 O6 2.199(9) 2_656
Ho1 O13 2.233(12) .
Ho1 O10 2.249(10) .
Ho1 O3 2.314(10) .
Ho1 O2 2.399(8) .
Ho1 O25' 2.46(2) .
Ho1 O4 2.464(11) .
Ho1 P1 3.064(4) .
Ho1 Co1 3.4796(19) .
Ho1 Ho2 3.7669(12) .
Ho2 O8' 2.15(3) .
Ho2 O7 2.232(15) .
Ho2 O11 2.248(10) .
Ho2 O26' 2.30(3) .
Ho2 O25' 2.33(3) .
Ho2 O3 2.329(9) .
Ho2 O5 2.408(10) .
Ho2 O8 2.41(3) .
Ho2 O45 2.450(10) .
Ho2 O26 2.69(3) .
Ho2 C75' 2.76(3) .
Ho2 O25 2.82(3) .
Ho3 O22 2.000(19) .
Ho3 O9 2.205(12) .
Ho3 O34 2.233(19) .
Ho3 O14' 2.26(3) .
Ho3 O16 2.273(13) .
Ho3 O19 2.289(12) .
Ho3 O46 2.383(9) .
Ho3 O34' 2.43(3) .
Ho3 O38' 2.44(3) .
Ho3 O14 2.65(3) .
Ho3 O22' 2.71(3) .
Ho3 C81' 2.87(2) .
Ho4 O36 2.15(2) 2_656
Ho4 O34 2.238(19) .
Ho4 O38 2.335(18) .
Ho4 O18 2.37(2) .
Ho4 O20 2.41(4) .
Ho4 O23 2.510(19) .
Ho4 O22 2.55(3) .
Ho4 O21 2.78(2) .
Ho4 C81 2.84(2) .
Ho4 P4 3.330(9) .
Ho4 Co3 3.448(2) .
O34 Co3 2.223(5) .
O34 H34D 1.0000 .
C81 O22 1.276(10) .
C81 O38 1.297(10) .
C81 C90 1.507(9) .
C90 C85 1.512(9) .
C90 C91 1.515(13) .
C90 C88 1.521(13) .
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 .
P4 O23 1.567(14) .
P4 O21 1.566(14) .
P4 O36 1.569(14) .
P4 C55 1.81(3) .
O23 Co3 2.066(16) .
O21 Co5 1.70(2) .
O36 Ho4 2.15(2) 2_656
C55 C57 1.55(2) .
C55 C80 1.55(2) .
C55 C56 1.55(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 .
O24 C50 1.48(4) .
O24 Co5 1.91(3) .
Ho4' O20' 2.15(5) .
Ho4' O36' 2.17(3) 2_656
Ho4' O22' 2.34(2) .
Ho4' O21' 2.418(19) .
Ho4' O34' 2.43(2) .
Ho4' O18' 2.49(2) .
Ho4' O23' 2.57(2) .
Ho4' P4' 3.024(8) .
Ho4' Co5 3.444(3) .
Ho4' Co3 3.479(3) .
O34' Co3 1.916(19) .
O34' H34E 1.0000 .
C81' O22' 1.275(10) .
C81' O38' 1.283(10) .
C81' C90' 1.496(10) .
C90' C85' 1.503(9) .
C90' C91' 1.504(13) .
C90' C88' 1.508(13) .
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 .
P4' O23' 1.55(2) .
P4' O21' 1.57(2) .
P4' O36' 1.57(2) .
P4' C55' 1.82(3) .
O23' Co3 2.08(2) .
O21' Co5 2.29(3) .
O24' C50 1.16(3) .
O24' Co5 2.10(3) .
O36' Ho4' 2.17(3) 2_656
C55' C80' 1.54(2) .
C55' C56' 1.54(2) .
C55' C57' 1.54(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 .
Co1 O3 2.031(9) .
Co1 O2 2.050(9) .
Co1 O5 2.059(10) .
Co1 O29' 2.07(2) .
Co1 O33 2.08(2) .
Co1 O28' 2.087(18) 2_656
Co1 O32' 2.215(19) .
Co1 O32 2.255(18) .
Co1 O28' 2.397(18) .
Co2 O12 1.81(5) 2_656
Co2 O12 1.81(5) .
Co2 O4 1.993(10) 2_656
Co2 O4 1.993(10) .
Co2 O12' 2.04(5) .
Co2 O12' 2.04(5) 2_656
Co3 O46 2.019(12) .
Co3 O28 2.04(3) .
Co3 O33' 2.08(3) .
Co3 O29 2.15(2) .
Co3 O32 2.187(18) .
Co3 O32' 2.255(18) .
Co3 O29 2.32(2) 2_656
Co4 O14 1.85(3) .
Co4 O17 1.942(12) .
Co4 O15 2.000(15) .
Co4 O45 2.009(12) .
Co4 O14' 2.23(4) .
Co5 O21 1.70(2) 2_656
Co5 O24 1.91(3) 2_656
Co5 O24' 2.10(3) 2_656
Co5 O21' 2.29(3) 2_656
Co5 Ho4' 3.444(3) 2_656
P1 O6 1.509(10) .
P1 O2 1.538(10) .
P1 O4 1.541(10) .
P1 C21 1.818(13) .
P2 O9 1.527(13) .
P2 O5 1.531(10) .
P2 O45 1.540(12) .
P2 C24 1.814(17) .
P3 O14 1.56(4) .
P3 C60 1.86(3) .
P3' O46 1.37(2) .
P3' O14' 1.53(4) .
P3' O7 1.65(2) .
P3' C60 1.84(3) .
O3 H3D 1.0000 .
O6 Ho1 2.199(9) 2_656
O10 C53 1.287(9) .
O20 C50 1.20(5) .
O20' C50 1.35(5) .
C21 C38 1.52(2) .
C21 C47 1.54(2) .
C21 C103 1.54(3) .
O13 C71 1.27(2) .
C24 C92 1.51(2) .
C24 C146 1.52(3) .
C24 C34 1.52(3) .
O16 C59 1.245(13) .
C27 C100 1.44(2) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
O11 C53 1.287(9) .
C29 C74 1.50(3) .
C29 C71 1.50(3) .
C29 C46 1.53(3) .
C29 C61 1.54(3) .
O17 C59 1.240(13) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
O19 C63 1.21(2) .
O18 C63 1.47(3) .
O18' C63 1.16(3) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
O15 C42 1.19(2) .
O15 C42' 1.40(5) .
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 1.41(7) .
O12' C71 1.13(6) .
C53 C100 1.51(2) .
C54 C60 1.495(10) .
C54 H54B 0.9591 .
C54 H54C 0.9551 .
C54 H54A 0.9617 .
C58 C60 1.498(10) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C127 1.54(2) .
C60 C62 1.504(10) .
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 1.52(2) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C82 C97 1.55(3) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C87 C97 1.50(3) .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C48 C45 1.493(16) .
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(3) .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C100 C150 1.62(3) .
C103 H10A 0.9800 .
C103 H10B 0.9800 .
C103 H10C 0.9800 .
C50 C45 1.51(3) .
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 1.286(8) .
O26 C75 1.289(8) .
C75 C4 1.491(11) .
C4 C37 1.51(2) .
C4 C77 1.51(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' 1.285(10) .
O26' C75' 1.289(10) .
C75' C4' 1.487(10) .
C4' C37' 1.44(3) .
C4' C36' 1.44(3) .
C4' C77' 1.44(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 1.495(10) .
C127 C3 1.501(13) .
C127 C2 1.509(13) .
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 1.496(16) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C43 1.494(16) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
N1 O31 1.21(3) .
N1 O33 1.25(3) .
N1 O32 1.29(3) .
N1 O30 1.74(3) 2_656
O31 O30 0.77(2) 2_656
N2 O30 1.23(3) .
N2 O28 1.27(5) .
N2 O29 1.30(3) .
O29 O29 1.22(3) 2_656
O29 Co3 2.32(2) 2_656
O30 O31 0.77(2) 2_656
O30 N1 1.74(3) 2_656
N1' O31' 1.18(3) .
N1' O33' 1.23(3) .
N1' O32' 1.29(3) .
N1' O30' 1.68(3) 2_656
O31' O30' 0.59(3) 2_656
O31' N2' 1.52(4) 2_656
N2' O30' 1.19(3) .
N2' O29' 1.30(3) .
N2' O28' 1.33(3) .
N2' O31' 1.52(4) 2_656
O28' O28' 1.16(3) 2_656
O28' Co1 2.087(18) 2_656
O30' O31' 0.59(3) 2_656
O30' N1' 1.68(3) 2_656
O8 C42 1.20(2) .
C42 C32 1.52(6) .
C32 C51 1.495(10) .
C32 C41 1.498(14) .
C32 C40 1.504(14) .
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' 1.20(2) .
C51' C32' 1.487(10) .
C51' H51D 0.9800 .
C51' H51E 0.9800 .
C51' H51F 0.9800 .
C32' C40' 1.488(14) .
C32' C42' 1.57(7) .
C40' H40D 0.9800 .
C40' H40E 0.9800 .
C40' H40F 0.9800 .
O1W H1WA 0.8514 .
O1W H1WB 0.8452 .
