#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/56/1515684.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_1515684
loop_
_publ_author_name
'Zheng, Yan-Zhen'
'Evangelisti, Marco'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Co--Gd phosphonate complexes as magnetic refrigerants
;
_journal_issue                   1
_journal_name_full               'Chemical Science'
_journal_page_first              99
_journal_paper_doi               10.1039/c0sc00371a
_journal_volume                  2
_journal_year                    2011
_chemical_formula_sum            'C112 H222 Co8 Gd8 N4 O73 P8'
_chemical_formula_weight         4770.14
_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                 101.4160(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.6240(18)
_cell_length_b                   20.7297(10)
_cell_length_c                   25.0866(13)
_cell_measurement_temperature    100(2)
_cell_volume                     18159.3(16)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0616
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            85562
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    3.737
_exptl_absorpt_correction_T_max  0.6041
_exptl_absorpt_correction_T_min  0.1586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             9416
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.485
_refine_diff_density_min         -2.678
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1330
_refine_ls_number_reflns         16004
_refine_ls_number_restraints     2223
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1258
_refine_ls_R_factor_gt           0.0815
_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)+(0.0656P)²+465.3629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1849
_refine_ls_wR_factor_ref         0.2154
_reflns_number_gt                10065
_reflns_number_total             16004
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0sc00371a.txt
_cod_data_source_block           cogdm1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1515684
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
Gd1 Gd 0.55939(2) 1.66717(4) 0.83784(3) 0.0705(2) Uani 1 1 d U . .
Gd2 Gd 0.63379(2) 1.53856(6) 0.89073(3) 0.0954(3) Uani 1 1 d U . .
Gd3 Gd 0.65179(3) 1.29478(5) 0.82028(4) 0.0947(3) Uani 1 1 d DU . .
Gd4 Gd 0.58674(7) 1.16435(12) 0.77972(11) 0.0674(5) Uani 0.502(2) 1 d PDU . 1
O34 O 0.5947(4) 1.2714(8) 0.7663(10) 0.072(2) Uani 0.502(2) 1 d PDU . 1
H34D H 0.5919 1.2849 0.7275 0.086 Uiso 0.502(2) 1 calc PR . 1
C81 C 0.6371(6) 1.1280(9) 0.8508(7) 0.119(3) Uani 0.502(2) 1 d PDU . 1
C90 C 0.6739(6) 1.0970(12) 0.8774(9) 0.130(4) Uani 0.502(2) 1 d PDU . 1
O22 O 0.6379(7) 1.1905(10) 0.8502(11) 0.104(2) Uani 0.502(2) 1 d PDU . 1
O38 O 0.6089(6) 1.0897(11) 0.8317(10) 0.125(4) Uani 0.502(2) 1 d PDU . 1
C88 C 0.6659(9) 1.0308(13) 0.9017(14) 0.152(6) Uani 0.502(2) 1 d PDU . 1
H88A H 0.6458 1.0358 0.9230 0.227 Uiso 0.502(2) 1 calc PR . 1
H88B H 0.6893 1.0149 0.9252 0.227 Uiso 0.502(2) 1 calc PR . 1
H88C H 0.6574 1.0000 0.8721 0.227 Uiso 0.502(2) 1 calc PR . 1
C85 C 0.6990(7) 1.0872(18) 0.8361(12) 0.143(7) Uani 0.502(2) 1 d PDU . 1
H85A H 0.7016 1.1281 0.8175 0.215 Uiso 0.502(2) 1 calc PR . 1
H85B H 0.6874 1.0549 0.8093 0.215 Uiso 0.502(2) 1 calc PR . 1
H85C H 0.7244 1.0723 0.8546 0.215 Uiso 0.502(2) 1 calc PR . 1
C91 C 0.6942(9) 1.1400(17) 0.9245(12) 0.138(6) Uani 0.502(2) 1 d PDU . 1
H91A H 0.7050 1.1779 0.9097 0.207 Uiso 0.502(2) 1 calc PR . 1
H91B H 0.7147 1.1155 0.9475 0.207 Uiso 0.502(2) 1 calc PR . 1
H91C H 0.6757 1.1541 0.9462 0.207 Uiso 0.502(2) 1 calc PR . 1
Gd4' Gd 0.56964(7) 1.16196(12) 0.75692(11) 0.0674(5) Uani 0.498(2) 1 d PU . 2
O34' O 0.5860(6) 1.2777(11) 0.7624(11) 0.070(2) Uani 0.498(2) 1 d PU . 2
H34E H 0.5824 1.2992 0.7261 0.084 Uiso 0.498(2) 1 calc PR . 2
C81' C 0.6564(7) 1.1733(12) 0.8710(12) 0.115(3) Uani 0.498(2) 1 d PDU . 2
O22' O 0.6253(7) 1.1815(13) 0.8341(11) 0.100(2) Uani 0.498(2) 1 d PDU . 2
O38' O 0.6844(6) 1.2128(11) 0.8848(11) 0.115(4) Uani 0.498(2) 1 d PDU . 2
C90' C 0.6676(7) 1.1102(12) 0.8983(10) 0.130(4) Uani 0.498(2) 1 d PDU . 2
C91' C 0.6370(10) 1.0603(13) 0.8777(16) 0.141(5) Uani 0.498(2) 1 d PDU . 2
H91D H 0.6465 1.0173 0.8900 0.211 Uiso 0.498(2) 1 calc PR . 2
H91E H 0.6309 1.0613 0.8379 0.211 Uiso 0.498(2) 1 calc PR . 2
H91F H 0.6140 1.0699 0.8920 0.211 Uiso 0.498(2) 1 calc PR . 2
C85' C 0.7049(8) 1.0863(18) 0.8859(16) 0.143(6) Uani 0.498(2) 1 d PDU . 2
H85D H 0.7092 1.0416 0.8984 0.215 Uiso 0.498(2) 1 calc PR . 2
H85E H 0.7259 1.1135 0.9046 0.215 Uiso 0.498(2) 1 calc PR . 2
H85F H 0.7038 1.0882 0.8466 0.215 Uiso 0.498(2) 1 calc PR . 2
C88' C 0.6720(11) 1.1129(19) 0.9588(11) 0.150(7) Uani 0.498(2) 1 d PDU . 2
H88D H 0.6807 1.0709 0.9744 0.225 Uiso 0.498(2) 1 calc PR . 2
H88E H 0.6473 1.1236 0.9681 0.225 Uiso 0.498(2) 1 calc PR . 2
H88F H 0.6909 1.1460 0.9735 0.225 Uiso 0.498(2) 1 calc PR . 2
Co1 Co 0.56204(5) 1.51593(9) 0.77481(7) 0.0589(4) Uani 1 1 d U . .
Co2 Co 0.5000 1.78577(13) 0.7500 0.0921(10) Uani 1 2 d SU . .
Co3 Co 0.55237(7) 1.31428(10) 0.81063(8) 0.0766(6) Uani 1 1 d DU . .
Co4 Co 0.70982(7) 1.41808(18) 0.90829(11) 0.1235(11) Uani 1 1 d U . .
Co5 Co 0.5000 1.04447(16) 0.7500 0.1274(13) Uani 1 2 d SU . .
P1 P 0.54315(11) 1.66458(18) 0.71224(16) 0.0653(9) Uani 1 1 d U . .
P2 P 0.65634(11) 1.4660(2) 0.79466(16) 0.0755(10) Uani 1 1 d U . .
P3 P 0.6273(5) 1.3745(10) 0.9155(8) 0.0921(14) Uani 0.50 1 d PU . 1
P3' P 0.6209(5) 1.3613(10) 0.9089(8) 0.0921(14) Uani 0.50 1 d PU . 2
P4 P 0.5027(3) 1.1670(5) 0.8191(4) 0.073(2) Uani 0.502(2) 1 d PDU . 1
O23 O 0.5344(5) 1.2192(10) 0.8169(9) 0.075(3) Uani 0.502(2) 1 d PDU . 1
O21 O 0.5187(7) 1.1070(9) 0.7926(9) 0.080(3) Uani 0.502(2) 1 d PDU . 1
O36 O 0.4614(5) 1.1849(11) 0.7872(9) 0.073(3) Uani 0.502(2) 1 d PDU . 1
C55 C 0.5011(6) 1.1485(10) 0.8883(12) 0.082(3) Uani 0.502(2) 1 d PDU . 1
C56 C 0.4713(8) 1.0922(13) 0.8886(11) 0.086(4) Uani 0.502(2) 1 d PDU . 1
H56A H 0.4695 1.0822 0.9262 0.129 Uiso 0.502(2) 1 calc PR . 1
H56B H 0.4797 1.0538 0.8716 0.129 Uiso 0.502(2) 1 calc PR . 1
H56C H 0.4461 1.1057 0.8683 0.129 Uiso 0.502(2) 1 calc PR . 1
C57 C 0.5421(8) 1.1273(15) 0.9188(10) 0.097(4) Uani 0.502(2) 1 d PDU . 1
H57A H 0.5414 1.1170 0.9568 0.145 Uiso 0.502(2) 1 calc PR . 1
H57B H 0.5603 1.1626 0.9178 0.145 Uiso 0.502(2) 1 calc PR . 1
H57C H 0.5503 1.0892 0.9010 0.145 Uiso 0.502(2) 1 calc PR . 1
C80 C 0.4878(8) 1.2109(14) 0.9154(10) 0.087(4) Uani 0.502(2) 1 d PDU . 1
H80A H 0.4859 1.2013 0.9531 0.130 Uiso 0.502(2) 1 calc PR . 1
H80B H 0.4627 1.2246 0.8950 0.130 Uiso 0.502(2) 1 calc PR . 1
H80C H 0.5065 1.2456 0.9150 0.130 Uiso 0.502(2) 1 calc PR . 1
P4' P 0.5195(3) 1.1672(5) 0.8409(4) 0.0740(19) Uani 0.498(2) 1 d PDU . 2
O23' O 0.5497(6) 1.2182(11) 0.8352(9) 0.074(3) Uani 0.498(2) 1 d PU . 2
O21' O 0.5355(7) 1.1063(11) 0.8164(9) 0.083(3) Uani 0.498(2) 1 d PU . 2
O36' O 0.4779(7) 1.1860(10) 0.8111(9) 0.068(3) Uani 0.498(2) 1 d PU . 2
C55' C 0.5199(6) 1.1505(10) 0.9129(12) 0.083(4) Uani 0.498(2) 1 d PDU . 2
C80' C 0.5082(8) 1.2118(14) 0.9386(10) 0.087(4) Uani 0.498(2) 1 d PDU . 2
H80D H 0.5069 1.2034 0.9766 0.130 Uiso 0.498(2) 1 calc PR . 2
H80E H 0.4830 1.2258 0.9187 0.130 Uiso 0.498(2) 1 calc PR . 2
H80F H 0.5271 1.2457 0.9370 0.130 Uiso 0.498(2) 1 calc PR . 2
C57' C 0.5600(8) 1.1300(15) 0.9404(10) 0.097(4) Uani 0.498(2) 1 d PDU . 2
H57D H 0.5603 1.1201 0.9787 0.145 Uiso 0.498(2) 1 calc PR . 2
H57E H 0.5780 1.1651 0.9381 0.145 Uiso 0.498(2) 1 calc PR . 2
H57F H 0.5675 1.0916 0.9223 0.145 Uiso 0.498(2) 1 calc PR . 2
C56' C 0.4913(8) 1.0968(13) 0.9156(11) 0.086(4) Uani 0.498(2) 1 d PDU . 2
H56D H 0.4904 1.0878 0.9537 0.129 Uiso 0.498(2) 1 calc PR . 2
H56E H 0.4991 1.0577 0.8987 0.129 Uiso 0.498(2) 1 calc PR . 2
H56F H 0.4658 1.1102 0.8962 0.129 Uiso 0.498(2) 1 calc PR . 2
O2 O 0.5608(2) 1.6122(4) 0.7533(4) 0.0636(16) Uani 1 1 d U . .
O3 O 0.5678(3) 1.5542(5) 0.8523(4) 0.0683(16) Uani 1 1 d U . .
H3D H 0.5500 1.5348 0.8741 0.082 Uiso 1 1 calc R . .
O4 O 0.5429(3) 1.7245(4) 0.7493(4) 0.0748(18) Uani 1 1 d U . .
O5 O 0.6215(3) 1.5091(5) 0.7955(4) 0.0732(18) Uani 1 1 d U . .
O6 O 0.5040(3) 1.6485(4) 0.6800(4) 0.0635(19) Uani 1 1 d U . .
O7 O 0.6132(3) 1.4384(6) 0.9068(4) 0.0899(18) Uani 1 1 d U . .
O9 O 0.6469(3) 1.3950(5) 0.7845(4) 0.0741(18) Uani 1 1 d U . .
O10 O 0.5649(3) 1.6589(6) 0.9300(4) 0.093(3) Uani 1 1 d DU . .
O46 O 0.6013(3) 1.3236(5) 0.8676(4) 0.0857(18) Uani 1 1 d U . .
O45 O 0.6815(3) 1.4784(6) 0.8509(4) 0.089(2) Uani 1 1 d U . .
O20 O 0.5721(9) 1.0619(13) 0.7254(14) 0.125(4) Uani 0.502(2) 1 d PU . 1
O20' O 0.5912(9) 1.0586(13) 0.7571(14) 0.128(4) Uani 0.498(2) 1 d PU . 2
O24 O 0.5295(10) 0.9848(17) 0.7177(15) 0.131(5) Uani 0.502(2) 1 d PU . 1
O24' O 0.5446(10) 0.9849(17) 0.7422(16) 0.130(5) Uani 0.498(2) 1 d PU . 2
C21 C 0.5739(5) 1.6789(9) 0.6638(7) 0.089(4) Uani 1 1 d U . .
O13 O 0.5525(5) 1.7715(6) 0.8602(6) 0.128(4) Uani 1 1 d U . .
C24 C 0.6822(5) 1.4951(9) 0.7435(7) 0.090(3) Uani 1 1 d U . .
O14 O 0.6700(9) 1.3667(16) 0.9114(12) 0.096(2) Uani 0.502(2) 1 d PU . 1
O14' O 0.6630(9) 1.3471(16) 0.9033(12) 0.096(2) Uani 0.498(2) 1 d PU . 2
O16 O 0.7178(4) 1.3122(8) 0.8351(6) 0.131(3) Uani 1 1 d DU . .
C27 C 0.5297(5) 1.6351(11) 1.0159(7) 0.112(5) Uani 1 1 d U . .
H27A H 0.5224 1.6321 1.0515 0.168 Uiso 1 1 calc R . .
H27B H 0.5138 1.6055 0.9904 0.168 Uiso 1 1 calc R . .
H27C H 0.5258 1.6794 1.0023 0.168 Uiso 1 1 calc R . .
O11 O 0.6111(3) 1.5857(7) 0.9606(4) 0.106(3) Uani 1 1 d DU . .
C29 C 0.5458(7) 1.8739(9) 0.9022(9) 0.128(4) Uani 1 1 d U . .
O17 O 0.7542(4) 1.3804(8) 0.8864(6) 0.123(3) Uani 1 1 d DU . .
C34 C 0.6561(5) 1.4866(9) 0.6886(7) 0.100(4) Uani 1 1 d U . .
H34A H 0.6695 1.5000 0.6600 0.149 Uiso 1 1 calc R . .
H34B H 0.6331 1.5132 0.6869 0.149 Uiso 1 1 calc R . .
H34C H 0.6487 1.4412 0.6835 0.149 Uiso 1 1 calc R . .
O19 O 0.6680(4) 1.2415(6) 0.7469(5) 0.105(3) Uani 1 1 d U . .
O18 O 0.6182(8) 1.1693(17) 0.7077(13) 0.099(4) Uani 0.502(2) 1 d PU . 1
O18' O 0.6313(8) 1.1642(17) 0.7247(13) 0.098(4) Uani 0.498(2) 1 d PU . 2
C38 C 0.5575(5) 1.7339(8) 0.6258(7) 0.097(4) Uani 1 1 d U . .
H38A H 0.5740 1.7414 0.5994 0.145 Uiso 1 1 calc R . .
H38B H 0.5563 1.7732 0.6471 0.145 Uiso 1 1 calc R . .
H38C H 0.5317 1.7225 0.6065 0.145 Uiso 1 1 calc R . .
O15 O 0.7372(4) 1.4697(9) 0.9710(5) 0.135(3) Uani 1 1 d DU . .
C47 C 0.5748(5) 1.6147(8) 0.6322(6) 0.091(4) Uani 1 1 d U . .
H47A H 0.5912 1.6198 0.6054 0.137 Uiso 1 1 calc R . .
H47B H 0.5488 1.6035 0.6135 0.137 Uiso 1 1 calc R . .
H47C H 0.5850 1.5803 0.6578 0.137 Uiso 1 1 calc R . .
C46 C 0.5725(8) 1.9212(10) 0.8866(10) 0.156(7) Uani 1 1 d U . .
H46A H 0.5805 1.9518 0.9164 0.234 Uiso 1 1 calc R . .
H46B H 0.5597 1.9445 0.8540 0.234 Uiso 1 1 calc R . .
H46C H 0.5950 1.8987 0.8789 0.234 Uiso 1 1 calc R . .
O12 O 0.511(3) 1.841(5) 0.809(3) 0.117(4) Uani 0.502(2) 1 d PU . 1
O12' O 0.514(3) 1.841(5) 0.817(3) 0.116(4) Uani 0.498(2) 1 d PU . 2
C53 C 0.5825(4) 1.6207(8) 0.9671(6) 0.101(3) Uani 1 1 d DU . .
C54 C 0.6268(6) 1.2689(10) 0.9836(8) 0.149(6) Uani 1 1 d DU . .
H54B H 0.6303 1.2523 0.9491 0.179 Uiso 1 1 d R . .
H54C H 0.6508 1.2641 1.0089 0.179 Uiso 1 1 d R . .
H54A H 0.6078 1.2427 0.9959 0.179 Uiso 1 1 d R . .
C58 C 0.6434(5) 1.3771(11) 1.0223(6) 0.143(6) Uani 1 1 d DU . .
H58A H 0.6409 1.3611 1.0582 0.215 Uiso 1 1 calc R . .
H58B H 0.6363 1.4228 1.0191 0.215 Uiso 1 1 calc R . .
H58C H 0.6700 1.3721 1.0179 0.215 Uiso 1 1 calc R . .
C59 C 0.7502(5) 1.3330(9) 0.8559(8) 0.131(3) Uani 1 1 d DU . .
C60 C 0.6176(4) 1.3394(10) 0.9791(7) 0.133(5) Uani 1 1 d DU . .
C61 C 0.5094(8) 1.9085(11) 0.9083(10) 0.164(7) Uani 1 1 d U . .
H61A H 0.5151 1.9393 0.9385 0.246 Uiso 1 1 calc R . .
H61B H 0.4906 1.8769 0.9157 0.246 Uiso 1 1 calc R . .
H61C H 0.4989 1.9317 0.8746 0.246 Uiso 1 1 calc R . .
C62 C 0.5763(5) 1.3497(12) 0.9821(7) 0.137(6) Uani 1 1 d DU . .
H62A H 0.5711 1.3296 1.0152 0.205 Uiso 1 1 calc R . .
H62B H 0.5599 1.3302 0.9502 0.205 Uiso 1 1 calc R . .
H62C H 0.5711 1.3961 0.9828 0.205 Uiso 1 1 calc R . .
C63 C 0.6529(6) 1.2005(9) 0.7121(8) 0.101(3) Uani 1 1 d U . .
C71 C 0.5339(8) 1.8246(9) 0.8551(10) 0.117(3) Uani 1 1 d U . .
C74 C 0.5622(8) 1.8401(10) 0.9534(9) 0.144(6) Uani 1 1 d U . .
H74A H 0.5692 1.8717 0.9827 0.216 Uiso 1 1 calc R . .
H74B H 0.5851 1.8161 0.9487 0.216 Uiso 1 1 calc R . .
H74C H 0.5433 1.8100 0.9626 0.216 Uiso 1 1 calc R . .
C82 C 0.7050(6) 1.1430(9) 0.6810(8) 0.118(5) Uani 1 1 d U . .
H82A H 0.7235 1.1613 0.7115 0.177 Uiso 1 1 calc R . .
H82B H 0.7178 1.1343 0.6506 0.177 Uiso 1 1 calc R . .
H82C H 0.6946 1.1028 0.6926 0.177 Uiso 1 1 calc R . .
C87 C 0.6429(6) 1.1643(10) 0.6152(9) 0.123(5) Uani 1 1 d U . .
H87A H 0.6221 1.1954 0.6041 0.185 Uiso 1 1 calc R . .
H87B H 0.6324 1.1240 0.6264 0.185 Uiso 1 1 calc R . .
H87C H 0.6556 1.1559 0.5846 0.185 Uiso 1 1 calc R . .
C48 C 0.6378(6) 0.9701(10) 0.7526(9) 0.167(6) Uani 1 1 d DU . .
H48A H 0.6572 0.9415 0.7425 0.251 Uiso 1 1 calc R . .
H48B H 0.6362 0.9626 0.7907 0.251 Uiso 1 1 calc R . .
H48C H 0.6448 1.0151 0.7479 0.251 Uiso 1 1 calc R . .
C92 C 0.7182(5) 1.4549(9) 0.7461(7) 0.094(4) Uani 1 1 d U . .
H92A H 0.7315 1.4691 0.7175 0.141 Uiso 1 1 calc R . .
H92B H 0.7112 1.4093 0.7406 0.141 Uiso 1 1 calc R . .
H92C H 0.7350 1.4605 0.7817 0.141 Uiso 1 1 calc R . .
C93 C 0.5822(6) 1.5572(11) 1.0522(8) 0.124(5) Uani 1 1 d U . .
H93A H 0.5730 1.5578 1.0866 0.186 Uiso 1 1 calc R . .
H93B H 0.6102 1.5541 1.0599 0.186 Uiso 1 1 calc R . .
H93C H 0.5713 1.5198 1.0306 0.186 Uiso 1 1 calc R . .
C95 C 0.6880(6) 1.2552(9) 0.6473(8) 0.107(5) Uani 1 1 d U . .
H95A H 0.7071 1.2712 0.6780 0.161 Uiso 1 1 calc R . .
H95B H 0.6672 1.2868 0.6381 0.161 Uiso 1 1 calc R . .
H95C H 0.7000 1.2487 0.6158 0.161 Uiso 1 1 calc R . .
C97 C 0.6719(6) 1.1918(9) 0.6626(8) 0.104(3) Uani 1 1 d U . .
C100 C 0.5701(5) 1.6175(11) 1.0213(7) 0.106(3) Uani 1 1 d U . .
C103 C 0.6139(5) 1.6958(11) 0.6956(8) 0.119(5) Uani 1 1 d U . .
H10A H 0.6311 1.7031 0.6702 0.179 Uiso 1 1 calc R . .
H10B H 0.6237 1.6602 0.7201 0.179 Uiso 1 1 calc R . .
H10C H 0.6125 1.7351 0.7169 0.179 Uiso 1 1 calc R . .
C50 C 0.5707(6) 1.0032(9) 0.7323(9) 0.134(4) Uani 1 1 d DU . .
C146 C 0.6926(6) 1.5652(9) 0.7530(9) 0.116(5) Uani 1 1 d U . .
H14A H 0.7064 1.5801 0.7252 0.174 Uiso 1 1 calc R . .
H14B H 0.7089 1.5703 0.7890 0.174 Uiso 1 1 calc R . .
H14C H 0.6692 1.5907 0.7509 0.174 Uiso 1 1 calc R . .
C150 C 0.5948(6) 1.6759(12) 1.0541(8) 0.136(6) Uani 1 1 d U . .
H15A H 0.5890 1.6792 1.0906 0.204 Uiso 1 1 calc R . .
H15B H 0.5881 1.7165 1.0345 0.204 Uiso 1 1 calc R . .
H15C H 0.6221 1.6674 1.0570 0.204 Uiso 1 1 calc R . .
O25 O 0.6210(5) 1.6622(14) 0.8492(13) 0.096(2) Uani 0.502(2) 1 d PDU . 1
O26 O 0.6815(5) 1.6396(14) 0.8803(10) 0.115(2) Uani 0.502(2) 1 d PDU . 1
C75 C 0.6554(6) 1.6830(11) 0.8660(14) 0.109(3) Uani 0.502(2) 1 d PDU . 1
C4 C 0.6662(6) 1.7524(12) 0.8710(10) 0.114(4) Uani 0.502(2) 1 d PDU . 1
C36 C 0.6419(10) 1.7874(17) 0.8218(14) 0.131(7) Uani 0.502(2) 1 d PDU . 1
H36A H 0.6479 1.7701 0.7881 0.197 Uiso 0.502(2) 1 calc PR . 1
H36B H 0.6477 1.8337 0.8242 0.197 Uiso 0.502(2) 1 calc PR . 1
H36C H 0.6147 1.7808 0.8218 0.197 Uiso 0.502(2) 1 calc PR . 1
C37 C 0.7086(8) 1.7598(19) 0.8705(14) 0.120(5) Uani 0.502(2) 1 d PDU . 1
H37A H 0.7140 1.7411 0.8369 0.180 Uiso 0.502(2) 1 calc PR . 1
H37B H 0.7237 1.7373 0.9019 0.180 Uiso 0.502(2) 1 calc PR . 1
H37C H 0.7153 1.8056 0.8722 0.180 Uiso 0.502(2) 1 calc PR . 1
C77 C 0.6567(9) 1.777(2) 0.9242(14) 0.119(6) Uani 0.502(2) 1 d PDU . 1
H77A H 0.6709 1.7518 0.9547 0.179 Uiso 0.502(2) 1 calc PR . 1
H77B H 0.6291 1.7725 0.9229 0.179 Uiso 0.502(2) 1 calc PR . 1
H77C H 0.6639 1.8226 0.9292 0.179 Uiso 0.502(2) 1 calc PR . 1
O25' O 0.6299(6) 1.6463(15) 0.8583(13) 0.097(2) Uani 0.498(2) 1 d PDU . 2
O26' O 0.6847(7) 1.6100(14) 0.9060(11) 0.115(2) Uani 0.498(2) 1 d PDU . 2
C75' C 0.6643(7) 1.6582(15) 0.8838(13) 0.110(3) Uani 0.498(2) 1 d PDU . 2
C4' C 0.6813(6) 1.7239(15) 0.8928(10) 0.115(3) Uani 0.498(2) 1 d PDU . 2
C77' C 0.6749(10) 1.7498(19) 0.9435(14) 0.123(7) Uani 0.498(2) 1 d PDU . 2
H77D H 0.6871 1.7922 0.9497 0.184 Uiso 0.498(2) 1 calc PR . 2
H77E H 0.6860 1.7207 0.9732 0.184 Uiso 0.498(2) 1 calc PR . 2
H77F H 0.6473 1.7541 0.9420 0.184 Uiso 0.498(2) 1 calc PR . 2
C37' C 0.7219(8) 1.722(2) 0.8956(15) 0.133(7) Uani 0.498(2) 1 d PDU . 2
H37D H 0.7326 1.7654 0.9034 0.200 Uiso 0.498(2) 1 calc PR . 2
H37E H 0.7272 1.7072 0.8607 0.200 Uiso 0.498(2) 1 calc PR . 2
H37F H 0.7338 1.6924 0.9245 0.200 Uiso 0.498(2) 1 calc PR . 2
C36' C 0.6647(10) 1.7663(16) 0.8494(15) 0.127(6) Uani 0.498(2) 1 d PDU . 2
H36D H 0.6757 1.8095 0.8565 0.190 Uiso 0.498(2) 1 calc PR . 2
H36E H 0.6369 1.7684 0.8470 0.190 Uiso 0.498(2) 1 calc PR . 2
H36F H 0.6701 1.7500 0.8150 0.190 Uiso 0.498(2) 1 calc PR . 2
C127 C 0.7828(4) 1.2949(9) 0.8403(7) 0.138(3) Uani 0.502(2) 1 d PDU . 1
C39 C 0.8203(5) 1.3277(17) 0.8596(13) 0.143(6) Uani 0.502(2) 1 d PDU . 1
H39A H 0.8295 1.3456 0.8284 0.214 Uiso 0.502(2) 1 calc PR . 1
H39B H 0.8389 1.2965 0.8785 0.214 Uiso 0.502(2) 1 calc PR . 1
H39C H 0.8170 1.3626 0.8846 0.214 Uiso 0.502(2) 1 calc PR . 1
C2 C 0.7746(10) 1.2904(17) 0.7782(9) 0.155(6) Uani 0.502(2) 1 d PDU . 1
H2A H 0.7484 1.2753 0.7652 0.233 Uiso 0.502(2) 1 calc PR . 1
H2B H 0.7926 1.2600 0.7667 0.233 Uiso 0.502(2) 1 calc PR . 1
H2C H 0.7777 1.3331 0.7627 0.233 Uiso 0.502(2) 1 calc PR . 1
C3 C 0.7832(5) 1.2279(9) 0.8626(9) 0.147(4) Uani 0.502(2) 1 d PDU . 1
H3A H 0.8044 1.2036 0.8528 0.220 Uiso 0.502(2) 1 calc PR . 1
H3B H 0.7589 1.2065 0.8472 0.220 Uiso 0.502(2) 1 calc PR . 1
H3C H 0.7864 1.2298 0.9022 0.220 Uiso 0.502(2) 1 calc PR . 1
C227 C 0.7828(4) 1.2949(9) 0.8403(7) 0.138(3) Uani 0.498(2) 1 d PDU . 2
C2' C 0.7883(12) 1.2980(17) 0.7931(15) 0.155(6) Uani 0.498(2) 1 d PDU . 2
H2D H 0.7652 1.2839 0.7678 0.232 Uiso 0.498(2) 1 calc PR . 2
H2E H 0.8098 1.2699 0.7894 0.232 Uiso 0.498(2) 1 calc PR . 2
H2F H 0.7943 1.3425 0.7848 0.232 Uiso 0.498(2) 1 calc PR . 2
C39' C 0.8168(8) 1.3208(19) 0.8803(12) 0.141(6) Uani 0.498(2) 1 d PDU . 2
H39D H 0.8401 1.2991 0.8747 0.211 Uiso 0.498(2) 1 calc PR . 2
H39E H 0.8132 1.3128 0.9174 0.211 Uiso 0.498(2) 1 calc PR . 2
H39F H 0.8191 1.3673 0.8746 0.211 Uiso 0.498(2) 1 calc PR . 2
C3' C 0.7832(5) 1.2279(9) 0.8626(9) 0.147(4) Uani 0.498(2) 1 d PDU . 2
HD H 0.8068 1.2061 0.8585 0.220 Uiso 0.498(2) 1 calc PR . 2
HE H 0.7611 1.2040 0.8426 0.220 Uiso 0.498(2) 1 calc PR . 2
HF H 0.7818 1.2298 0.9012 0.220 Uiso 0.498(2) 1 calc PR . 2
C44 C 0.6028(7) 0.9665(12) 0.6605(8) 0.171(6) Uani 1 1 d DU . .
H44A H 0.6220 0.9372 0.6508 0.257 Uiso 1 1 calc R . .
H44B H 0.6102 1.0112 0.6551 0.257 Uiso 1 1 calc R . .
H44C H 0.5778 0.9576 0.6374 0.257 Uiso 1 1 calc R . .
C45 C 0.6006(6) 0.9567(8) 0.7178(7) 0.142(4) Uani 1 1 d DU . .
C43 C 0.5890(6) 0.8898(8) 0.7258(9) 0.162(6) Uani 1 1 d DU . .
H43A H 0.6076 0.8600 0.7152 0.243 Uiso 1 1 calc R . .
H43B H 0.5636 0.8818 0.7033 0.243 Uiso 1 1 calc R . .
H43C H 0.5880 0.8831 0.7642 0.243 Uiso 1 1 calc R . .
N1 N 0.5612(7) 1.4076(12) 0.7234(10) 0.074(3) Uani 0.50 1 d PU . 1
O31 O 0.5658(7) 1.3599(13) 0.6936(11) 0.089(5) Uani 0.50 1 d PU . 1
O32 O 0.5588(6) 1.4024(9) 0.7739(8) 0.071(3) Uani 0.50 1 d PU . 1
O33 O 0.5633(6) 1.4640(10) 0.7046(8) 0.070(3) Uani 0.50 1 d PU A 1
N2 N 0.4817(9) 1.3349(13) 0.8096(13) 0.089(4) Uani 0.50 1 d PU . 1
O28 O 0.5096(8) 1.3405(11) 0.8506(12) 0.086(4) Uani 0.50 1 d PU . 1
O29 O 0.4893(6) 1.3207(9) 0.7617(9) 0.079(3) Uani 0.50 1 d PU . 1
O30 O 0.4490(8) 1.3432(13) 0.8189(13) 0.102(5) Uani 0.50 1 d PU . 1
N1' N 0.5293(8) 1.4231(12) 0.8438(11) 0.082(3) Uani 0.50 1 d PU . 2
O31' O 0.5181(8) 1.4695(12) 0.8702(12) 0.094(5) Uani 0.50 1 d PU . 2
O32' O 0.5489(6) 1.4277(9) 0.8062(8) 0.075(3) Uani 0.50 1 d PU . 2
O33' O 0.5228(7) 1.3678(11) 0.8578(10) 0.082(4) Uani 0.50 1 d PU . 2
N2' N 0.5111(8) 1.4973(12) 0.6846(10) 0.073(4) Uani 0.50 1 d PU . 2
O28' O 0.4959(5) 1.5109(8) 0.7272(6) 0.063(4) Uani 0.50 1 d PU . 2
O29' O 0.5476(7) 1.4931(10) 0.6934(8) 0.071(3) Uani 0.50 1 d PU B 2
O30' O 0.4940(8) 1.4907(13) 0.6385(11) 0.090(5) Uani 0.50 1 d PU . 2
O8 O 0.6821(8) 1.4984(17) 0.9671(13) 0.127(3) Uani 0.502(2) 1 d PDU . 1
C42 C 0.7155(8) 1.5043(18) 0.9867(18) 0.131(3) Uani 0.502(2) 1 d PDU . 1
C32 C 0.7322(6) 1.5371(13) 1.0471(15) 0.135(4) Uani 0.502(2) 1 d PDU . 1
C51 C 0.7346(8) 1.4819(17) 1.0868(12) 0.136(7) Uani 0.502(2) 1 d PDU . 1
H51A H 0.7525 1.4494 1.0784 0.204 Uiso 0.502(2) 1 calc PR . 1
H51B H 0.7091 1.4625 1.0840 0.204 Uiso 0.502(2) 1 calc PR . 1
H51C H 0.7436 1.4980 1.1238 0.204 Uiso 0.502(2) 1 calc PR . 1
C40 C 0.7015(9) 1.5881(14) 1.0526(13) 0.141(6) Uani 0.502(2) 1 d PDU . 1
H40A H 0.6771 1.5665 1.0531 0.211 Uiso 0.502(2) 1 calc PR . 1
H40B H 0.6983 1.6179 1.0217 0.211 Uiso 0.502(2) 1 calc PR . 1
H40C H 0.7096 1.6123 1.0865 0.211 Uiso 0.502(2) 1 calc PR . 1
C41 C 0.7709(4) 1.5673(11) 1.0407(8) 0.145(4) Uani 0.502(2) 1 d PDU . 1
H41A H 0.7880 1.5333 1.0326 0.217 Uiso 0.502(2) 1 calc PR . 1
H41B H 0.7827 1.5891 1.0746 0.217 Uiso 0.502(2) 1 calc PR . 1
H41C H 0.7664 1.5987 1.0109 0.217 Uiso 0.502(2) 1 calc PR . 1
O8' O 0.6816(9) 1.5297(18) 0.9601(13) 0.126(3) Uani 0.498(2) 1 d PDU . 2
C51' C 0.7163(9) 1.548(2) 1.0808(12) 0.140(6) Uani 0.498(2) 1 d PDU . 2
H51D H 0.7252 1.5043 1.0911 0.210 Uiso 0.498(2) 1 calc PR . 2
H51E H 0.6884 1.5498 1.0755 0.210 Uiso 0.498(2) 1 calc PR . 2
H51F H 0.7276 1.5784 1.1096 0.210 Uiso 0.498(2) 1 calc PR . 2
C32' C 0.7284(6) 1.5665(18) 1.0292(13) 0.136(4) Uani 0.498(2) 1 d PDU . 2
C40' C 0.7153(10) 1.6344(15) 1.0171(15) 0.147(7) Uani 0.498(2) 1 d PDU . 2
H40D H 0.7259 1.6508 0.9864 0.220 Uiso 0.498(2) 1 calc PR . 2
H40E H 0.7243 1.6614 1.0491 0.220 Uiso 0.498(2) 1 calc PR . 2
H40F H 0.6873 1.6356 1.0077 0.220 Uiso 0.498(2) 1 calc PR . 2
C42' C 0.7135(8) 1.522(2) 0.9846(17) 0.131(3) Uani 0.498(2) 1 d PDU . 2
C41' C 0.7709(4) 1.5673(11) 1.0407(8) 0.145(4) Uani 0.498(2) 1 d PDU . 2
H41D H 0.7799 1.5854 1.0094 0.217 Uiso 0.498(2) 1 calc PR . 2
H41E H 0.7806 1.5232 1.0474 0.217 Uiso 0.498(2) 1 calc PR . 2
H41F H 0.7802 1.5939 1.0729 0.217 Uiso 0.498(2) 1 calc PR . 2
O1W O 0.6735(11) 1.0075(19) 1.0637(16) 0.194(16) Uiso 0.50 1 d P C 2
H1WA H 0.6593 0.9738 1.0600 0.233 Uiso 0.50 1 d PR C 2
H1WB H 0.6905 1.0126 1.0925 0.233 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'
Gd Gd -0.1653 3.9035 '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 Gd1 O6 166.8(8) . 2_656
O25 Gd1 O13 99.8(9) . .
O6 Gd1 O13 93.4(5) 2_656 .
O25 Gd1 O10 88.9(9) . .
O6 Gd1 O10 94.1(4) 2_656 .
O13 Gd1 O10 79.2(5) . .
O25 Gd1 O3 80.7(8) . .
O6 Gd1 O3 87.3(3) 2_656 .
O13 Gd1 O3 157.0(4) . .
O10 Gd1 O3 77.8(4) . .
O25 Gd1 O2 84.0(8) . .
O6 Gd1 O2 86.5(3) 2_656 .
O13 Gd1 O2 133.8(4) . .
O10 Gd1 O2 147.0(4) . .
O3 Gd1 O2 69.2(3) . .
O25 Gd1 O4 101.3(9) . .
O6 Gd1 O4 81.6(3) 2_656 .
O13 Gd1 O4 75.3(4) . .
O10 Gd1 O4 153.8(4) . .
O3 Gd1 O4 127.4(3) . .
O2 Gd1 O4 58.9(3) . .
O25 Gd1 O25' 8.4(15) . .
O6 Gd1 O25' 160.1(8) 2_656 .
O13 Gd1 O25' 105.6(8) . .
O10 Gd1 O25' 84.1(8) . .
O3 Gd1 O25' 73.0(8) . .
O2 Gd1 O25' 84.5(7) . .
O4 Gd1 O25' 108.5(8) . .
O25 Gd1 P1 96.6(9) . .
O6 Gd1 P1 79.4(2) 2_656 .
O13 Gd1 P1 105.2(4) . .
O10 Gd1 P1 172.2(3) . .
O3 Gd1 P1 97.5(2) . .
O2 Gd1 P1 29.5(2) . .
O4 Gd1 P1 29.9(2) . .
O25' Gd1 P1 100.6(8) . .
O25 Gd1 Co1 84.3(7) . .
O6 Gd1 Co1 82.7(2) 2_656 .
O13 Gd1 Co1 167.8(4) . .
O10 Gd1 Co1 112.5(3) . .
O3 Gd1 Co1 34.7(2) . .
O2 Gd1 Co1 34.8(2) . .
O4 Gd1 Co1 92.7(2) . .
O25' Gd1 Co1 79.8(7) . .
P1 Gd1 Co1 62.79(8) . .
O25 Gd1 Gd2 45.7(8) . .
O6 Gd1 Gd2 123.5(2) 2_656 .
O13 Gd1 Gd2 133.3(4) . .
O10 Gd1 Gd2 71.4(3) . .
O3 Gd1 Gd2 36.9(2) . .
O2 Gd1 Gd2 80.9(2) . .
O4 Gd1 Gd2 132.2(2) . .
O25' Gd1 Gd2 37.4(8) . .
P1 Gd1 Gd2 108.67(7) . .
Co1 Gd1 Gd2 56.93(4) . .
O8' Gd2 O7 90.6(11) . .
O8' Gd2 O11 76.4(9) . .
O7 Gd2 O11 94.5(4) . .
O8' Gd2 O26' 57.4(12) . .
O7 Gd2 O26' 145.9(7) . .
O11 Gd2 O26' 89.0(7) . .
O8' Gd2 O25' 109.6(12) . .
O7 Gd2 O25' 157.7(6) . .
O11 Gd2 O25' 81.6(8) . .
O26' Gd2 O25' 56.2(8) . .
O8' Gd2 O3 152.2(9) . .
O7 Gd2 O3 82.4(4) . .
O11 Gd2 O3 77.4(3) . .
O26' Gd2 O3 131.2(7) . .
O25' Gd2 O3 75.3(6) . .
O8' Gd2 O5 136.4(9) . .
O7 Gd2 O5 86.7(3) . .
O11 Gd2 O5 147.3(3) . .
O26' Gd2 O5 107.9(7) . .
O25' Gd2 O5 85.0(8) . .
O3 Gd2 O5 70.3(3) . .
O8' Gd2 O8 15.3(15) . .
O7 Gd2 O8 75.6(9) . .
O11 Gd2 O8 81.1(8) . .
O26' Gd2 O8 71.5(11) . .
O25' Gd2 O8 124.9(11) . .
O3 Gd2 O8 147.8(9) . .
O5 Gd2 O8 130.3(8) . .
O8' Gd2 O45 77.9(9) . .
O7 Gd2 O45 83.3(4) . .
O11 Gd2 O45 154.1(4) . .
O26' Gd2 O45 79.1(7) . .
O25' Gd2 O45 109.5(7) . .
O3 Gd2 O45 127.4(3) . .
O5 Gd2 O45 58.6(3) . .
O8 Gd2 O45 73.3(8) . .
O8' Gd2 C75' 82.5(11) . .
O7 Gd2 C75' 172.9(6) . .
O11 Gd2 C75' 82.3(8) . .
O26' Gd2 C75' 28.2(4) . .
O25' Gd2 C75' 28.2(4) . .
O3 Gd2 C75' 103.0(5) . .
O5 Gd2 C75' 99.4(7) . .
O8 Gd2 C75' 97.6(10) . .
O45 Gd2 C75' 96.8(7) . .
O8' Gd2 O26 74.9(11) . .
O7 Gd2 O26 161.0(5) . .
O11 Gd2 O26 93.8(6) . .
O26' Gd2 O26 17.5(8) . .
O25' Gd2 O26 40.9(7) . .
O3 Gd2 O26 116.0(5) . .
O5 Gd2 O26 95.4(6) . .
O8 Gd2 O26 88.9(10) . .
O45 Gd2 O26 81.8(6) . .
C75' Gd2 O26 15.6(7) . .
O8' Gd2 O25 114.9(11) . .
O7 Gd2 O25 151.7(5) . .
O11 Gd2 O25 80.6(7) . .
O26' Gd2 O25 62.3(8) . .
O25' Gd2 O25 6.1(8) . .
O3 Gd2 O25 69.2(5) . .
O5 Gd2 O25 83.0(7) . .
O8 Gd2 O25 130.2(10) . .
O45 Gd2 O25 112.9(7) . .
C75' Gd2 O25 34.2(7) . .
O26 Gd2 O25 46.9(4) . .
O9 Gd3 O34 88.3(6) . .
O9 Gd3 O14' 85.0(9) . .
O34 Gd3 O14' 127.9(8) . .
O9 Gd3 O19 97.7(4) . .
O34 Gd3 O19 76.0(4) . .
O14' Gd3 O19 156.1(9) . .
O9 Gd3 O16 85.2(5) . .
O34 Gd3 O16 152.4(5) . .
O14' Gd3 O16 78.2(9) . .
O19 Gd3 O16 78.4(5) . .
O9 Gd3 O22 163.8(7) . .
O34 Gd3 O22 77.0(8) . .
O14' Gd3 O22 98.7(11) . .
O19 Gd3 O22 85.3(8) . .
O16 Gd3 O22 110.9(7) . .
O9 Gd3 O46 87.8(3) . .
O34 Gd3 O46 71.2(4) . .
O14' Gd3 O46 56.9(9) . .
O19 Gd3 O46 146.6(5) . .
O16 Gd3 O46 135.0(5) . .
O22 Gd3 O46 81.2(7) . .
O9 Gd3 O38' 152.0(7) . .
O34 Gd3 O38' 119.7(8) . .
O14' Gd3 O38' 76.0(10) . .
O19 Gd3 O38' 92.0(6) . .
O16 Gd3 O38' 71.0(7) . .
O22 Gd3 O38' 42.9(8) . .
O46 Gd3 O38' 98.4(6) . .
O9 Gd3 O34' 84.8(6) . .
O34 Gd3 O34' 4.9(6) . .
O14' Gd3 O34' 123.9(9) . .
O19 Gd3 O34' 79.9(5) . .
O16 Gd3 O34' 154.7(6) . .
O22 Gd3 O34' 80.0(9) . .
O46 Gd3 O34' 67.7(5) . .
O38' Gd3 O34' 122.8(8) . .
O9 Gd3 O22' 152.9(5) . .
O34 Gd3 O22' 64.9(8) . .
O14' Gd3 O22' 108.0(11) . .
O19 Gd3 O22' 80.1(7) . .
O16 Gd3 O22' 120.2(6) . .
O22 Gd3 O22' 12.4(8) . .
O46 Gd3 O22' 80.3(7) . .
O38' Gd3 O22' 54.8(5) . .
O34' Gd3 O22' 68.1(7) . .
O9 Gd3 O14 79.4(8) . .
O34 Gd3 O14 131.5(7) . .
O14' Gd3 O14 7.2(15) . .
O19 Gd3 O14 151.8(8) . .
O16 Gd3 O14 73.4(8) . .
O22 Gd3 O14 105.4(10) . .
O46 Gd3 O14 61.6(8) . .
O38' Gd3 O14 79.7(9) . .
O34' Gd3 O14 127.2(8) . .
O22' Gd3 O14 114.9(10) . .
O9 Gd3 C81' 176.2(7) . .
O34 Gd3 C81' 92.5(8) . .
O14' Gd3 C81' 91.6(11) . .
O19 Gd3 C81' 86.1(7) . .
O16 Gd3 C81' 95.7(6) . .
O22 Gd3 C81' 15.8(7) . .
O46 Gd3 C81' 88.9(7) . .
O38' Gd3 C81' 27.2(3) . .
O34' Gd3 C81' 95.7(7) . .
O22' Gd3 C81' 27.6(3) . .
O14 Gd3 C81' 97.4(10) . .
O38 Gd4 O36 140.3(9) . 2_656
O38 Gd4 O34 141.1(9) . .
O36 Gd4 O34 78.3(8) 2_656 .
O38 Gd4 O18 109.9(10) . .
O36 Gd4 O18 79.6(9) 2_656 .
O34 Gd4 O18 75.3(9) . .
O38 Gd4 O22 63.6(6) . .
O36 Gd4 O22 155.4(8) 2_656 .
O34 Gd4 O22 77.5(8) . .
O18 Gd4 O22 98.9(11) . .
O38 Gd4 C81 32.7(4) . .
O36 Gd4 C81 172.8(8) 2_656 .
O34 Gd4 C81 108.8(8) . .
O18 Gd4 C81 100.9(8) . .
O22 Gd4 C81 31.9(3) . .
O38 Gd4 O23 108.8(8) . .
O36 Gd4 O23 70.8(8) 2_656 .
O34 Gd4 O23 74.7(5) . .
O18 Gd4 O23 141.3(9) . .
O22 Gd4 O23 98.0(9) . .
C81 Gd4 O23 111.6(6) . .
O38 Gd4 O20 74.0(11) . .
O36 Gd4 O20 72.7(10) 2_656 .
O34 Gd4 O20 139.6(9) . .
O18 Gd4 O20 72.2(11) . .
O22 Gd4 O20 130.6(9) . .
C81 Gd4 O20 100.5(9) . .
O23 Gd4 O20 119.5(8) . .
O38 Gd4 O21 80.8(7) . .
O36 Gd4 O21 66.6(7) 2_656 .
O34 Gd4 O21 125.0(5) . .
O18 Gd4 O21 132.9(10) . .
O22 Gd4 O21 125.4(8) . .
C81 Gd4 O21 108.7(7) . .
O23 Gd4 O21 54.7(7) . .
O20 Gd4 O21 67.1(8) . .
O38 Gd4 P4 94.5(6) . .
O36 Gd4 P4 67.1(6) 2_656 .
O34 Gd4 P4 100.0(2) . .
O18 Gd4 P4 146.6(8) . .
O22 Gd4 P4 112.6(8) . .
C81 Gd4 P4 111.7(4) . .
O23 Gd4 P4 26.8(4) . .
O20 Gd4 P4 94.2(7) . .
O21 Gd4 P4 27.9(4) . .
O38 Gd4 Co3 129.2(7) . .
O36 Gd4 Co3 75.0(6) 2_656 .
O34 Gd4 Co3 38.79(14) . .
O18 Gd4 Co3 112.4(9) . .
O22 Gd4 Co3 83.1(6) . .
C81 Gd4 Co3 111.1(5) . .
O23 Gd4 Co3 36.4(4) . .
O20 Gd4 Co3 145.9(8) . .
O21 Gd4 Co3 90.2(4) . .
P4 Gd4 Co3 62.86(18) . .
O38 Gd4 Gd3 103.9(7) . .
O36 Gd4 Gd3 115.8(6) 2_656 .
O34 Gd4 Gd3 37.8(6) . .
O18 Gd4 Gd3 78.5(9) . .
O22 Gd4 Gd3 41.0(5) . .
C81 Gd4 Gd3 71.2(5) . .
O23 Gd4 Gd3 92.2(5) . .
O20 Gd4 Gd3 147.5(7) . .
O21 Gd4 Gd3 145.3(4) . .
P4 Gd4 Gd3 118.2(2) . .
Co3 Gd4 Gd3 59.90(6) . .
Co3 O34 Gd3 103.5(6) . .
Co3 O34 Gd4 101.5(6) . .
Gd3 O34 Gd4 104.2(11) . .
Co3 O34 H34D 115.3 . .
Gd3 O34 H34D 115.3 . .
Gd4 O34 H34D 115.3 . .
O38 C81 O22 129(2) . .
O38 C81 C90 116.7(9) . .
O22 C81 C90 114(2) . .
O38 C81 Gd4 60.3(11) . .
O22 C81 Gd4 72.0(14) . .
C90 C81 Gd4 158.8(9) . .
C81 C90 C85 109.8(12) . .
C81 C90 C91 109.4(14) . .
C85 C90 C91 110.5(13) . .
C81 C90 C88 110.0(9) . .
C85 C90 C88 109.3(14) . .
C91 C90 C88 107.8(12) . .
C81 O22 Gd4 76.2(14) . .
C81 O22 Gd3 157.1(17) . .
Gd4 O22 Gd3 98.8(9) . .
C81 O38 Gd4 86.9(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 . .
O36' Gd4' O20' 114.9(11) 2_656 .
O36' Gd4' O21' 100.6(8) 2_656 .
O20' Gd4' O21' 76.1(8) . .
O36' Gd4' O34' 87.7(8) 2_656 .
O20' Gd4' O34' 147.1(9) . .
O21' Gd4' O34' 125.2(7) . .
O36' Gd4' O18' 109.6(9) 2_656 .
O20' Gd4' O18' 72.4(11) . .
O21' Gd4' O18' 143.1(9) . .
O34' Gd4' O18' 77.7(9) . .
O36' Gd4' O23' 102.0(7) 2_656 .
O20' Gd4' O23' 125.8(9) . .
O21' Gd4' O23' 58.6(8) . .
O34' Gd4' O23' 66.6(7) . .
O18' Gd4' O23' 130.7(10) . .
O36' Gd4' O22' 157.7(8) 2_656 .
O20' Gd4' O22' 86.3(11) . .
O21' Gd4' O22' 91.0(9) . .
O34' Gd4' O22' 70.1(9) . .
O18' Gd4' O22' 68.5(10) . .
O23' Gd4' O22' 68.0(8) . .
O36' Gd4' P4' 93.6(5) 2_656 .
O20' Gd4' P4' 106.2(7) . .
O21' Gd4' P4' 30.8(5) . .
O34' Gd4' P4' 95.2(5) . .
O18' Gd4' P4' 155.2(8) . .
O23' Gd4' P4' 30.5(6) . .
O22' Gd4' P4' 86.7(7) . .
O36' Gd4' Co5 71.8(5) 2_656 .
O20' Gd4' Co5 64.9(8) . .
O21' Gd4' Co5 41.0(7) . .
O34' Gd4' Co5 147.9(5) . .
O18' Gd4' Co5 131.9(9) . .
O23' Gd4' Co5 93.2(6) . .
O22' Gd4' Co5 126.9(7) . .
P4' Gd4' Co5 62.8(2) . .
O36' Gd4' Co3 85.9(5) 2_656 .
O20' Gd4' Co3 157.6(9) . .
O21' Gd4' Co3 92.6(5) . .
O34' Gd4' Co3 33.5(4) . .
O18' Gd4' Co3 109.8(9) . .
O23' Gd4' Co3 35.6(5) . .
O22' Gd4' Co3 74.5(6) . .
P4' Gd4' Co3 62.0(2) . .
Co5 Gd4' Co3 118.12(8) . .
Co3 O34' Gd4' 103.8(9) . .
Co3 O34' Gd3 101.3(10) . .
Gd4' O34' Gd3 110.5(10) . .
Co3 O34' H34E 113.4 . .
Gd4' O34' H34E 113.4 . .
Gd3 O34' H34E 113.4 . .
O38' C81' O22' 128(3) . .
O38' C81' C90' 108.1(19) . .
O22' C81' C90' 124(2) . .
O38' C81' Gd3 61.5(14) . .
O22' C81' Gd3 66.2(16) . .
C90' C81' Gd3 168.0(15) . .
C81' O22' Gd4' 162(2) . .
C81' O22' Gd3 86.2(17) . .
Gd4' O22' Gd3 107.3(8) . .
C81' O38' Gd3 91.3(16) . .
C81' C90' C88' 113.4(13) . .
C81' C90' C85' 111.2(15) . .
C88' C90' C85' 107.6(15) . .
C81' C90' C91' 109.4(15) . .
C88' C90' C91' 107.1(14) . .
C85' C90' C91' 107.9(15) . .
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 . .
O29' Co1 O28' 84.9(8) . 2_656
O29' Co1 O2 88.6(7) . .
O28' Co1 O2 94.2(5) 2_656 .
O29' Co1 O3 167.8(7) . .
O28' Co1 O3 87.4(5) 2_656 .
O2 Co1 O3 82.4(4) . .
O29' Co1 O33 23.2(7) . .
O28' Co1 O33 98.2(7) 2_656 .
O2 Co1 O33 106.4(7) . .
O3 Co1 O33 169.0(7) . .
O29' Co1 O32' 98.2(8) . .
O28' Co1 O32' 70.4(7) 2_656 .
O2 Co1 O32' 162.4(6) . .
O3 Co1 O32' 88.3(6) . .
O33 Co1 O32' 84.8(8) . .
O29' Co1 O5 105.8(7) . .
O28' Co1 O5 165.5(5) 2_656 .
O2 Co1 O5 95.7(4) . .
O3 Co1 O5 83.4(3) . .
O33 Co1 O5 89.1(7) . .
O32' Co1 O5 98.0(6) . .
O29' Co1 O32 76.0(8) . .
O28' Co1 O32 84.3(7) 2_656 .
O2 Co1 O32 164.6(6) . .
O3 Co1 O32 112.8(6) . .
O33 Co1 O32 58.8(8) . .
O32' Co1 O32 27.3(6) . .
O5 Co1 O32 88.9(6) . .
O29' Co1 Gd2 148.4(6) . .
O28' Co1 Gd2 126.2(4) 2_656 .
O2 Co1 Gd2 93.5(3) . .
O3 Co1 Gd2 41.3(2) . .
O33 Co1 Gd2 129.8(6) . .
O32' Co1 Gd2 89.2(6) . .
O5 Co1 Gd2 42.6(2) . .
O32 Co1 Gd2 99.7(5) . .
O29' Co1 Gd1 128.8(6) . .
O28' Co1 Gd1 86.6(5) 2_656 .
O2 Co1 Gd1 41.9(2) . .
O3 Co1 Gd1 40.9(3) . .
O33 Co1 Gd1 148.3(6) . .
O32' Co1 Gd1 125.8(5) . .
O5 Co1 Gd1 93.7(3) . .
O32 Co1 Gd1 152.6(5) . .
Gd2 Co1 Gd1 65.66(4) . .
O12 Co2 O12 104(6) . 2_656
O12 Co2 O4 111(3) . .
O12 Co2 O4 116(4) 2_656 .
O12 Co2 O4 116(4) . 2_656
O12 Co2 O4 111(3) 2_656 2_656
O4 Co2 O4 100.6(5) . 2_656
O12 Co2 O12' 107.3(9) . 2_656
O12 Co2 O12' 4(6) 2_656 2_656
O4 Co2 O12' 115(3) . 2_656
O4 Co2 O12' 108(3) 2_656 2_656
O12 Co2 O12' 4(6) . .
O12 Co2 O12' 107.3(9) 2_656 .
O4 Co2 O12' 108(3) . .
O4 Co2 O12' 115(3) 2_656 .
O12' Co2 O12' 111(5) 2_656 .
O34' Co3 O46 86.0(8) . .
O34' Co3 O28 168.5(11) . .
O46 Co3 O28 104.3(9) . .
O34' Co3 O33' 169.3(9) . .
O46 Co3 O33' 90.6(8) . .
O28 Co3 O33' 20.6(9) . .
O34' Co3 O32 86.2(9) . .
O46 Co3 O32 94.3(7) . .
O28 Co3 O32 98.1(8) . .
O33' Co3 O32 84.0(8) . .
O34' Co3 O23' 83.5(9) . .
O46 Co3 O23' 88.1(7) . .
O28 Co3 O23' 91.5(8) . .
O33' Co3 O23' 106.6(9) . .
O32 Co3 O23' 169.2(8) . .
O34' Co3 O23 85.3(9) . .
O46 Co3 O23 105.7(7) . .
O28 Co3 O23 86.8(9) . .
O33' Co3 O23 105.4(9) . .
O32 Co3 O23 157.7(9) . .
O23' Co3 O23 17.6(8) . .
O34' Co3 O29 84.7(9) . 2_656
O46 Co3 O29 163.5(5) . 2_656
O28 Co3 O29 86.5(10) . 2_656
O33' Co3 O29 96.1(9) . 2_656
O32 Co3 O29 71.5(8) . 2_656
O23' Co3 O29 104.3(8) . 2_656
O23 Co3 O29 87.1(8) . 2_656
O34' Co3 O34 6.9(14) . .
O46 Co3 O34 79.6(6) . .
O28 Co3 O34 171.4(8) . .
O33' Co3 O34 167.5(8) . .
O32 Co3 O34 89.2(8) . .
O23' Co3 O34 80.9(8) . .
O23 Co3 O34 84.8(7) . .
O29 Co3 O34 91.5(8) 2_656 .
O34' Co3 O29 109.2(9) . .
O46 Co3 O29 164.5(5) . .
O28 Co3 O29 60.9(10) . .
O33' Co3 O29 73.9(9) . .
O32 Co3 O29 84.0(7) . .
O23' Co3 O29 96.5(8) . .
O23 Co3 O29 79.4(7) . .
O29 Co3 O29 26.6(8) 2_656 .
O34 Co3 O29 115.8(7) . .
O34' Co3 O32' 112.3(8) . .
O46 Co3 O32' 88.2(6) . .
O28 Co3 O32' 73.9(8) . .
O33' Co3 O32' 57.4(8) . .
O32 Co3 O32' 27.3(6) . .
O23' Co3 O32' 163.5(8) . .
O23 Co3 O32' 158.7(7) . .
O29 Co3 O32' 82.8(7) 2_656 .
O34 Co3 O32' 114.1(7) . .
O29 Co3 O32' 83.3(7) . .
O34' Co3 Gd4 41.6(7) . .
O46 Co3 Gd4 87.2(3) . .
O28 Co3 Gd4 132.2(7) . .
O33' Co3 Gd4 148.4(7) . .
O32 Co3 Gd4 127.7(5) . .
O23' Co3 Gd4 41.8(6) . .
O23 Co3 Gd4 45.7(6) . .
O29 Co3 Gd4 94.8(5) 2_656 .
O34 Co3 Gd4 39.7(5) . .
O29 Co3 Gd4 106.1(5) . .
O32' Co3 Gd4 153.8(5) . .
O14 Co4 O17 118.1(11) . .
O14 Co4 O15 123.6(10) . .
O17 Co4 O15 98.2(6) . .
O14 Co4 O45 96.4(11) . .
O17 Co4 O45 111.6(5) . .
O15 Co4 O45 109.1(6) . .
O14 Co4 O14' 7.7(15) . .
O17 Co4 O14' 111.3(9) . .
O15 Co4 O14' 130.5(9) . .
O45 Co4 O14' 96.1(9) . .
O21 Co5 O21 82.8(14) 2_656 .
O21 Co5 O24 125.0(13) 2_656 2_656
O21 Co5 O24 113.7(14) . 2_656
O21 Co5 O24 113.7(14) 2_656 .
O21 Co5 O24 125.0(13) . .
O24 Co5 O24 99(2) 2_656 .
O21 Co5 O24' 107.4(12) 2_656 2_656
O21 Co5 O24' 127.1(13) . 2_656
O24 Co5 O24' 20.9(17) 2_656 2_656
O24 Co5 O24' 98.8(9) . 2_656
O21 Co5 O24' 127.1(13) 2_656 .
O21 Co5 O24' 107.4(12) . .
O24 Co5 O24' 98.8(9) 2_656 .
O24 Co5 O24' 20.9(17) . .
O24' Co5 O24' 106(2) 2_656 .
O21 Co5 O21' 15.1(8) 2_656 2_656
O21 Co5 O21' 96.9(8) . 2_656
O24 Co5 O21' 113.8(12) 2_656 2_656
O24 Co5 O21' 109.1(13) . 2_656
O24' Co5 O21' 94.6(11) 2_656 2_656
O24' Co5 O21' 126.7(12) . 2_656
O21 Co5 O21' 96.9(8) 2_656 .
O21 Co5 O21' 15.1(8) . .
O24 Co5 O21' 109.1(13) 2_656 .
O24 Co5 O21' 113.8(12) . .
O24' Co5 O21' 126.7(12) 2_656 .
O24' Co5 O21' 94.6(11) . .
O21' Co5 O21' 111.5(10) 2_656 .
O21 Co5 Gd4' 71.8(7) 2_656 .
O21 Co5 Gd4' 41.9(7) . .
O24 Co5 Gd4' 152.5(12) 2_656 .
O24 Co5 Gd4' 91.6(11) . .
O24' Co5 Gd4' 168.7(11) 2_656 .
O24' Co5 Gd4' 82.4(10) . .
O21' Co5 Gd4' 85.9(5) 2_656 .
O21' Co5 Gd4' 43.7(5) . .
O21 Co5 Gd4' 41.9(7) 2_656 2_656
O21 Co5 Gd4' 71.8(7) . 2_656
O24 Co5 Gd4' 91.6(11) 2_656 2_656
O24 Co5 Gd4' 152.5(12) . 2_656
O24' Co5 Gd4' 82.4(10) 2_656 2_656
O24' Co5 Gd4' 168.7(11) . 2_656
O21' Co5 Gd4' 43.7(5) 2_656 2_656
O21' Co5 Gd4' 85.9(5) . 2_656
Gd4' Co5 Gd4' 90.39(11) . 2_656
O6 P1 O2 114.5(5) . .
O6 P1 O4 112.6(5) . .
O2 P1 O4 102.3(6) . .
O6 P1 C21 107.1(7) . .
O2 P1 C21 110.0(7) . .
O4 P1 C21 110.3(7) . .
O6 P1 Gd1 121.2(3) . .
O2 P1 Gd1 50.3(3) . .
O4 P1 Gd1 53.0(4) . .
C21 P1 Gd1 131.7(6) . .
O9 P2 O5 114.4(6) . .
O9 P2 O45 112.7(7) . .
O5 P2 O45 102.5(5) . .
O9 P2 C24 109.1(7) . .
O5 P2 C24 109.9(7) . .
O45 P2 C24 107.9(8) . .
O9 P2 Gd2 121.4(4) . .
O5 P2 Gd2 50.7(4) . .
O45 P2 Gd2 52.8(4) . .
C24 P2 Gd2 129.5(6) . .
O7 P3 O14 114.2(19) . .
O7 P3 O46 109.9(13) . .
O14 P3 O46 106.7(14) . .
O7 P3 C60 112.4(13) . .
O14 P3 C60 111.6(17) . .
O46 P3 C60 101.2(12) . .
O7 P3 Gd3 120.9(11) . .
O14 P3 Gd3 58.4(11) . .
O46 P3 Gd3 49.1(6) . .
C60 P3 Gd3 124.9(11) . .
O46 P3' O14' 100.3(16) . .
O46 P3' O7 118.6(15) . .
O14' P3' O7 110.1(17) . .
O46 P3' C60 117.4(15) . .
O14' P3' C60 106.5(16) . .
O7 P3' C60 103.4(12) . .
O46 P3' Gd3 52.2(8) . .
O14' P3' Gd3 49.2(11) . .
O7 P3' Gd3 120.9(11) . .
C60 P3' Gd3 134.1(11) . .
O21 P4 O36 110.7(13) . .
O21 P4 O23 102.0(13) . .
O36 P4 O23 115.1(12) . .
O21 P4 C55 109.0(11) . .
O36 P4 C55 109.7(11) . .
O23 P4 C55 110.0(12) . .
O21 P4 Gd4 55.9(9) . .
O36 P4 Gd4 131.1(8) . .
O23 P4 Gd4 46.2(8) . .
C55 P4 Gd4 119.1(7) . .
P4 O23 Co3 152.3(13) . .
P4 O23 Gd4 106.9(11) . .
Co3 O23 Gd4 97.9(7) . .
P4 O21 Co5 136.7(15) . .
P4 O21 Gd4 96.3(11) . .
Co5 O21 Gd4 119.2(8) . .
P4 O36 Gd4 148.7(13) . 2_656
C57 C55 C80 110.4(15) . .
C57 C55 C56 110.6(15) . .
C80 C55 C56 110.1(14) . .
C57 C55 P4 109.1(14) . .
C80 C55 P4 108.3(14) . .
C56 C55 P4 108.3(15) . .
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 . .
O23' P4' O21' 101.8(12) . .
O23' P4' O36' 113.4(11) . .
O21' P4' O36' 113.4(14) . .
O23' P4' C55' 110.7(12) . .
O21' P4' C55' 107.5(10) . .
O36' P4' C55' 109.6(10) . .
O23' P4' Gd4' 55.8(9) . .
O21' P4' Gd4' 52.0(8) . .
O36' P4' Gd4' 108.1(8) . .
C55' P4' Gd4' 142.0(7) . .
P4' O23' Co3 139.3(12) . .
P4' O23' Gd4' 93.7(12) . .
Co3 O23' Gd4' 100.1(8) . .
P4' O21' Co5 123.4(13) . .
P4' O21' Gd4' 97.2(10) . .
Co5 O21' Gd4' 95.3(8) . .
P4' O36' Gd4' 144.8(12) . 2_656
C57' C55' C56' 110.7(16) . .
C57' C55' C80' 110.7(16) . .
C56' C55' C80' 110.4(15) . .
C57' C55' P4' 108.9(15) . .
C56' C55' P4' 108.0(15) . .
C80' C55' P4' 108.0(15) . .
C55' C80' H80D 109.5 . .
C55' C80' H80E 109.5 . .
H80D C80' H80E 109.5 . .
C55' C80' H80F 109.5 . .
H80D C80' H80F 109.5 . .
H80E C80' H80F 109.5 . .
C55' C57' H57D 109.5 . .
C55' C57' H57E 109.5 . .
H57D C57' H57E 109.5 . .
C55' C57' H57F 109.5 . .
H57D C57' H57F 109.5 . .
H57E C57' H57F 109.5 . .
C55' C56' H56D 109.5 . .
C55' C56' H56E 109.5 . .
H56D C56' H56E 109.5 . .
C55' C56' H56F 109.5 . .
H56D C56' H56F 109.5 . .
H56E C56' H56F 109.5 . .
P1 O2 Co1 147.1(6) . .
P1 O2 Gd1 100.2(4) . .
Co1 O2 Gd1 103.3(4) . .
Co1 O3 Gd2 103.6(3) . .
Co1 O3 Gd1 104.4(4) . .
Gd2 O3 Gd1 106.3(4) . .
Co1 O3 H3D 113.9 . .
Gd2 O3 H3D 113.9 . .
Gd1 O3 H3D 113.9 . .
P1 O4 Co2 127.8(6) . .
P1 O4 Gd1 97.2(5) . .
Co2 O4 Gd1 110.1(4) . .
P2 O5 Co1 145.3(7) . .
P2 O5 Gd2 99.9(5) . .
Co1 O5 Gd2 101.8(3) . .
P1 O6 Gd1 149.0(5) . 2_656
P3 O7 P3' 11.8(13) . .
P3 O7 Gd2 140.0(10) . .
P3' O7 Gd2 148.3(9) . .
P2 O9 Gd3 145.8(6) . .
C53 O10 Gd1 135.2(9) . .
P3' O46 P3 4.7(16) . .
P3' O46 Co3 145.3(11) . .
P3 O46 Co3 144.6(9) . .
P3' O46 Gd3 101.2(10) . .
P3 O46 Gd3 98.3(8) . .
Co3 O46 Gd3 104.4(4) . .
P2 O45 Co4 132.0(7) . .
P2 O45 Gd2 97.6(5) . .
Co4 O45 Gd2 108.1(4) . .
C50 O20 Gd4 140(3) . .
C50 O20' Gd4' 127(2) . .
C50 O24 Co5 109(2) . .
C50 O24' Co5 122(3) . .
C38 C21 C103 110.8(15) . .
C38 C21 C47 111.5(15) . .
C103 C21 C47 110.6(15) . .
C38 C21 P1 109.5(11) . .
C103 C21 P1 108.1(12) . .
C47 C21 P1 106.2(10) . .
C71 O13 Gd1 151.5(17) . .
C146 C24 C34 110.1(17) . .
C146 C24 C92 110.0(16) . .
C34 C24 C92 109.7(14) . .
C146 C24 P2 110.5(12) . .
C34 C24 P2 107.3(12) . .
C92 C24 P2 109.2(12) . .
P3 O14 Co4 137(2) . .
P3 O14 Gd3 92.3(14) . .
Co4 O14 Gd3 110.5(14) . .
P3' O14' Co4 126.6(18) . .
P3' O14' Gd3 100.0(15) . .
Co4 O14' Gd3 110.9(14) . .
C59 O16 Gd3 160.1(12) . .
C100 C27 H27A 109.5 . .
C100 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C100 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C53 O11 Gd2 138.2(10) . .
C46 C29 C74 112(2) . .
C46 C29 C61 109(2) . .
C74 C29 C61 109.7(18) . .
C46 C29 C71 109.2(16) . .
C74 C29 C71 110.5(18) . .
C61 C29 C71 106(2) . .
C59 O17 Co4 119.8(13) . .
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 Gd3 137.2(10) . .
C63 O18 Gd4 122(2) . .
C63 O18' Gd4' 141(2) . .
C21 C38 H38A 109.5 . .
C21 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C21 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C42 O15 C42' 11(3) . .
C42 O15 Co4 110(2) . .
C42' O15 Co4 111.8(17) . .
C21 C47 H47A 109.5 . .
C21 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C21 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C29 C46 H46A 109.5 . .
C29 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C29 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C71 O12 Co2 122(6) . .
C71 O12' Co2 123(7) . .
O11 C53 O10 122.6(14) . .
O11 C53 C100 117.9(14) . .
O10 C53 C100 119.4(12) . .
C60 C54 H54B 110.2 . .
C60 C54 H54C 107.6 . .
H54B C54 H54C 107.4 . .
C60 C54 H54A 114.6 . .
H54B C54 H54A 108.3 . .
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 121.1(18) . .
O17 C59 C127 124.9(14) . .
O16 C59 C127 113.9(14) . .
C58 C60 C54 111.2(17) . .
C58 C60 C62 111.0(15) . .
C54 C60 C62 109.7(17) . .
C58 C60 P3' 114.5(13) . .
C54 C60 P3' 104.9(13) . .
C62 C60 P3' 105.1(13) . .
C58 C60 P3 103.0(13) . .
C54 C60 P3 112.0(13) . .
C62 C60 P3 109.8(13) . .
P3' C60 P3 11.6(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 118(2) . .
O18' C63 O18 24(2) . .
O19 C63 O18 128.6(18) . .
O18' C63 C97 124(3) . .
O19 C63 C97 116.3(17) . .
O18 C63 C97 114(2) . .
O12' C71 O13 125(5) . .
O12' C71 O12 3(8) . .
O13 C71 O12 122(4) . .
O12' C71 C29 118(5) . .
O13 C71 C29 116(2) . .
O12 C71 C29 121(4) . .
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 . .
C95 C97 C87 111.0(17) . .
C95 C97 C63 110.7(15) . .
C87 C97 C63 109.6(17) . .
C95 C97 C82 109.8(16) . .
C87 C97 C82 110.2(17) . .
C63 C97 C82 105.4(15) . .
C27 C100 C93 115.7(19) . .
C27 C100 C53 111.3(15) . .
C93 C100 C53 113.5(14) . .
C27 C100 C150 106.5(16) . .
C93 C100 C150 107.0(17) . .
C53 C100 C150 101.5(16) . .
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 116(3) . .
O24' C50 O20' 125(3) . .
O20 C50 O20' 40(2) . .
O24' C50 O24 28(3) . .
O20 C50 O24 107(3) . .
O20' C50 O24 135(2) . .
O24' C50 C45 120(2) . .
O20 C50 C45 122(2) . .
O20' C50 C45 106.6(17) . .
O24 C50 C45 118.5(17) . .
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 Gd1 155(2) . .
C75 O25 Gd2 96.4(14) . .
Gd1 O25 Gd2 100.4(11) . .
C75 O26 Gd2 97.6(14) . .
O25 C75 O26 116.3(13) . .
O25 C75 C4 124.4(18) . .
O26 C75 C4 119.2(18) . .
C75 C4 C37 109.8(17) . .
C75 C4 C77 107.3(16) . .
C37 C4 C77 111.5(16) . .
C75 C4 C36 107.0(16) . .
C37 C4 C36 110.4(16) . .
C77 C4 C36 110.8(16) . .
C4 C36 H36A 109.5 . .
C4 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C4 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C4 C37 H37A 109.5 . .
C4 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C4 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C4 C77 H77A 109.5 . .
C4 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C4 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C75' O25' Gd2 91(2) . .
C75' O25' Gd1 153(2) . .
Gd2 O25' Gd1 102.8(11) . .
C75' O26' Gd2 94.0(18) . .
O25' C75' O26' 118(3) . .
O25' C75' C4' 125(2) . .
O26' C75' C4' 118(2) . .
O25' C75' Gd2 60.3(18) . .
O26' C75' Gd2 57.8(15) . .
C4' C75' Gd2 167.7(18) . .
C36' C4' C37' 108(2) . .
C36' C4' C77' 109(2) . .
C37' C4' C77' 107.5(19) . .
C36' C4' C75' 110.6(19) . .
C37' C4' C75' 111.1(19) . .
C77' C4' C75' 110.2(19) . .
C4' C77' H77D 109.5 . .
C4' C77' H77E 109.5 . .
H77D C77' H77E 109.5 . .
C4' C77' H77F 109.5 . .
H77D C77' H77F 109.5 . .
H77E C77' H77F 109.5 . .
C4' C37' H37D 109.5 . .
C4' C37' H37E 109.5 . .
H37D C37' H37E 109.5 . .
C4' C37' H37F 109.5 . .
H37D C37' H37F 109.5 . .
H37E C37' H37F 109.5 . .
C4' C36' H36D 109.5 . .
C4' C36' H36E 109.5 . .
H36D C36' H36E 109.5 . .
C4' C36' H36F 109.5 . .
H36D C36' H36F 109.5 . .
H36E C36' H36F 109.5 . .
C39 C127 C3 111.2(15) . .
C39 C127 C59 111.1(14) . .
C3 C127 C59 109.6(12) . .
C39 C127 C2 109.7(14) . .
C3 C127 C2 108.1(14) . .
C59 C127 C2 107.0(14) . .
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 C44 109.9(13) . .
C48 C45 C43 110.0(14) . .
C44 C45 C43 109.6(13) . .
C48 C45 C50 109.2(13) . .
C44 C45 C50 108.8(14) . .
C43 C45 C50 109.4(13) . .
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 . .
O33 N1 O31 118(2) . .
O33 N1 O32 117(2) . .
O31 N1 O32 124(3) . .
O33 N1 O30 121(2) . 2_656
O31 N1 O30 19.4(16) . 2_656
O32 N1 O30 120(2) . 2_656
O30 O31 N1 120(5) 2_656 .
O30 O31 N2 31(4) 2_656 2_656
N1 O31 N2 91(2) . 2_656
N1 O32 Co3 122.9(16) . .
N1 O32 Co1 85.1(14) . .
Co3 O32 Co1 152.0(9) . .
N1 O33 Co1 98.7(15) . .
O30 N2 O28 116(3) . .
O30 N2 O29 125(3) . .
O28 N2 O29 119(3) . .
O30 N2 O31 15.9(17) . 2_656
O28 N2 O31 127(2) . 2_656
O29 N2 O31 113(3) . 2_656
N2 O28 Co3 96.7(18) . .
O29 O29 N2 144(4) 2_656 .
O29 O29 Co3 89(3) 2_656 2_656
N2 O29 Co3 124.2(19) . 2_656
O29 O29 Co3 64(2) 2_656 .
N2 O29 Co3 83.3(18) . .
Co3 O29 Co3 152.5(8) 2_656 .
O31 O30 N2 133(5) 2_656 .
O31 O30 N1 40(4) 2_656 2_656
N2 O30 N1 95(2) . 2_656
O33' N1' O31' 117(3) . .
O33' N1' O32' 116(2) . .
O31' N1' O32' 127(3) . .
O33' N1' O30' 123(2) . 2_656
O31' N1' O30' 16.5(17) . 2_656
O32' N1' O30' 119(2) . 2_656
O30' O31' N1' 128(6) 2_656 .
O30' O31' N2' 36(4) 2_656 2_656
N1' O31' N2' 92(2) . 2_656
N1' O32' Co1 122.6(17) . .
N1' O32' Co3 85.5(15) . .
Co1 O32' Co3 151.8(9) . .
N1' O33' Co3 101.0(17) . .
O30' N2' O29' 117(3) . .
O30' N2' O28' 126(3) . .
O29' N2' O28' 116(2) . .
O30' N2' O31' 17.6(17) . 2_656
O29' N2' O31' 125(2) . 2_656
O28' N2' O31' 117(2) . 2_656
O28' O28' N2' 139(3) 2_656 .
O28' O28' Co1 95(2) 2_656 2_656
N2' O28' Co1 124.2(16) . 2_656
N2' O29' Co1 101.5(16) . .
O31' O30' N2' 127(6) 2_656 .
O31' O30' N1' 35(4) 2_656 2_656
N2' O30' N1' 91(2) . 2_656
C42 O8 Gd2 140(3) . .
O15 C42 O8 118(4) . .
O15 C42 C32 114(3) . .
O8 C42 C32 124(3) . .
C51 C32 C40 114.1(17) . .
C51 C32 C41 116.1(17) . .
C40 C32 C41 113.1(17) . .
C51 C32 C42 105(2) . .
C40 C32 C42 103.2(19) . .
C41 C32 C42 103.7(18) . .
C32 C51 H51A 109.5 . .
C32 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C32 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C32 C40 H40A 109.5 . .
C32 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C32 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C32 C41 H41A 109.5 . .
C32 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C32 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C42' O8' Gd2 159(3) . .
C32' C51' H51D 109.5 . .
C32' C51' H51E 109.5 . .
H51D C51' H51E 109.5 . .
C32' C51' H51F 109.5 . .
H51D C51' H51F 109.5 . .
H51E C51' H51F 109.5 . .
C42' C32' C40' 113(2) . .
C42' C32' C51' 112(2) . .
C40' C32' C51' 107(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 121(4) . .
O8' C42' C32' 118(3) . .
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
Gd1 O25 2.158(19) .
Gd1 O6 2.248(9) 2_656
Gd1 O13 2.260(12) .
Gd1 O10 2.288(11) .
Gd1 O3 2.379(10) .
Gd1 O2 2.417(8) .
Gd1 O4 2.485(10) .
Gd1 O25' 2.50(2) .
Gd1 P1 3.089(4) .
Gd1 Co1 3.5209(19) .
Gd1 Gd2 3.8079(13) .
Gd2 O8' 2.19(3) .
Gd2 O7 2.265(13) .
Gd2 O11 2.291(9) .
Gd2 O26' 2.31(3) .
Gd2 O25' 2.37(3) .
Gd2 O3 2.380(9) .
Gd2 O5 2.421(9) .
Gd2 O8 2.45(3) .
Gd2 O45 2.473(9) .
Gd2 C75' 2.73(3) .
Gd2 O26 2.74(3) .
Gd2 O25 2.77(3) .
Gd3 O9 2.256(10) .
Gd3 O34 2.262(18) .
Gd3 O14' 2.31(3) .
Gd3 O19 2.315(11) .
Gd3 O16 2.334(14) .
Gd3 O22 2.37(2) .
Gd3 O46 2.419(9) .
Gd3 O38' 2.47(2) .
Gd3 O34' 2.53(2) .
Gd3 O22' 2.58(3) .
Gd3 O14 2.70(3) .
Gd3 C81' 2.81(2) .
Gd4 O38 2.08(2) .
Gd4 O36 2.19(2) 2_656
Gd4 O34 2.270(18) .
Gd4 O18 2.31(3) .
Gd4 O22 2.34(3) .
Gd4 C81 2.39(2) .
Gd4 O23 2.52(2) .
Gd4 O20 2.52(3) .
Gd4 O21 2.78(2) .
Gd4 P4 3.333(10) .
Gd4 Co3 3.484(3) .
O34 Co3 2.227(4) .
O34 H34D 1.0000 .
C81 O38 1.293(10) .
C81 O22 1.298(10) .
C81 C90 1.493(9) .
C90 C85 1.513(10) .
C90 C91 1.541(19) .
C90 C88 1.550(18) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
Gd4' O36' 2.21(3) 2_656
Gd4' O20' 2.28(3) .
Gd4' O21' 2.40(2) .
Gd4' O34' 2.47(2) .
Gd4' O18' 2.49(3) .
Gd4' O23' 2.50(2) .
Gd4' O22' 2.52(2) .
Gd4' P4' 3.020(9) .
Gd4' Co5 3.456(4) .
Gd4' Co3 3.534(3) .
O34' Co3 2.011(18) .
O34' H34E 1.0000 .
C81' O38' 1.285(10) .
C81' O22' 1.306(10) .
C81' C90' 1.492(10) .
C90' C88' 1.495(19) .
C90' C85' 1.507(10) .
C90' C91' 1.518(19) .
C91' H91D 0.9800 .
C91' H91E 0.9800 .
C91' H91F 0.9800 .
C85' H85D 0.9800 .
C85' H85E 0.9800 .
C85' H85F 0.9800 .
C88' H88D 0.9800 .
C88' H88E 0.9800 .
C88' H88F 0.9800 .
Co1 O29' 2.06(2) .
Co1 O28' 2.057(19) 2_656
Co1 O2 2.064(9) .
Co1 O3 2.071(8) .
Co1 O33 2.071(19) .
Co1 O32' 2.081(19) .
Co1 O5 2.084(9) .
Co1 O32 2.356(19) .
Co2 O12 1.86(7) .
Co2 O12 1.86(7) 2_656
Co2 O4 1.990(10) .
Co2 O4 1.990(10) 2_656
Co2 O12' 2.02(7) 2_656
Co2 O12' 2.02(7) .
Co3 O46 2.033(12) .
Co3 O28 2.06(2) .
Co3 O33' 2.06(2) .
Co3 O32 2.079(19) .
Co3 O23' 2.09(2) .
Co3 O23 2.09(2) .
Co3 O29 2.11(2) 2_656
Co3 O29 2.34(2) .
Co3 O32' 2.356(19) .
Co4 O14 1.79(3) .
Co4 O17 1.937(11) .
Co4 O15 1.990(14) .
Co4 O45 2.020(12) .
Co4 O14' 2.21(3) .
Co5 O21 1.73(2) 2_656
Co5 O21 1.73(2) .
Co5 O24 1.90(3) 2_656
Co5 O24 1.90(3) .
Co5 O24' 2.05(3) 2_656
Co5 O24' 2.05(3) .
Co5 O21' 2.28(3) 2_656
Co5 O21' 2.28(3) .
Co5 Gd4' 3.456(4) 2_656
P1 O6 1.504(10) .
P1 O2 1.544(10) .
P1 O4 1.552(10) .
P1 C21 1.814(13) .
P2 O9 1.520(11) .
P2 O5 1.532(9) .
P2 O45 1.536(11) .
P2 C24 1.824(16) .
P3 O7 1.42(2) .
P3 O14 1.55(4) .
P3 O46 1.72(2) .
P3 C60 1.85(3) .
P3' O46 1.374(19) .
P3' O14' 1.56(4) .
P3' O7 1.62(2) .
P3' C60 1.84(3) .
P4 O21 1.568(17) .
P4 O36 1.574(17) .
P4 O23 1.573(17) .
P4 C55 1.79(3) .
O36 Gd4 2.19(2) 2_656
C55 C57 1.57(2) .
C55 C80 1.58(2) .
C55 C56 1.58(2) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
P4' O23' 1.53(2) .
P4' O21' 1.56(2) .
P4' O36' 1.57(2) .
P4' C55' 1.84(3) .
O36' Gd4' 2.21(3) 2_656
C55' C57' 1.52(2) .
C55' C56' 1.52(2) .
C55' C80' 1.52(2) .
C80' H80D 0.9800 .
C80' H80E 0.9800 .
C80' H80F 0.9800 .
C57' H57D 0.9800 .
C57' H57E 0.9800 .
C57' H57F 0.9800 .
C56' H56D 0.9800 .
C56' H56E 0.9800 .
C56' H56F 0.9800 .
O3 H3D 1.0000 .
O6 Gd1 2.248(9) 2_656
O10 C53 1.287(9) .
O20 C50 1.23(3) .
O20' C50 1.43(4) .
O24 C50 1.49(4) .
O24' C50 1.08(4) .
C21 C38 1.53(2) .
C21 C103 1.53(2) .
C21 C47 1.55(2) .
O13 C71 1.28(2) .
C24 C146 1.51(2) .
C24 C34 1.51(2) .
C24 C92 1.52(2) .
O16 C59 1.246(15) .
C27 C100 1.47(2) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
O11 C53 1.286(9) .
C29 C46 1.47(3) .
C29 C74 1.48(3) .
C29 C61 1.52(3) .
C29 C71 1.56(3) .
O17 C59 1.236(15) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
O19 C63 1.26(2) .
O18 C63 1.38(4) .
O18' C63 1.16(4) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
O15 C42 1.18(2) .
O15 C42' 1.45(4) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
O12 C71 1.31(9) .
O12' C71 1.11(9) .
C53 C100 1.51(2) .
C54 C60 1.497(10) .
C54 H54B 0.9633 .
C54 H54C 0.9637 .
C54 H54A 0.9652 .
C58 C60 1.496(10) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C127 1.52(2) .
C60 C62 1.501(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 1.54(2) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C82 C97 1.55(2) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C87 C97 1.52(3) .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C48 C45 1.462(18) .
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 1.49(3) .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C95 C97 1.51(2) .
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 1.53(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 1.289(9) .
O26 C75 1.295(9) .
C75 C4 1.488(10) .
C4 C37 1.52(3) .
C4 C77 1.53(3) .
C4 C36 1.54(3) .
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' 1.290(10) .
O26' C75' 1.293(10) .
C75' C4' 1.489(10) .
C4' C36' 1.43(3) .
C4' C37' 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 1.489(10) .
C127 C3 1.496(18) .
C127 C2 1.530(19) .
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 1.468(18) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C43 1.473(18) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
N1 O33 1.27(3) .
N1 O31 1.27(3) .
N1 O32 1.29(3) .
N1 O30 1.70(3) 2_656
O31 O30 0.66(3) 2_656
O31 N2 1.76(4) 2_656
N2 O30 1.25(3) .
N2 O28 1.29(4) .
N2 O29 1.32(3) .
N2 O31 1.76(4) 2_656
O29 O29 1.05(3) 2_656
O29 Co3 2.11(2) 2_656
O30 O31 0.66(3) 2_656
O30 N1 1.70(3) 2_656
N1' O33' 1.23(3) .
N1' O31' 1.27(3) .
N1' O32' 1.28(3) .
N1' O30' 1.73(3) 2_656
O31' O30' 0.62(3) 2_656
O31' N2' 1.66(4) 2_656
N2' O30' 1.20(3) .
N2' O29' 1.28(3) .
N2' O28' 1.32(3) .
N2' O31' 1.66(4) 2_656
O28' O28' 1.12(3) 2_656
O28' Co1 2.057(19) 2_656
O30' O31' 0.62(3) 2_656
O30' N1' 1.73(3) 2_656
O8 C42 1.20(2) .
C42 C32 1.66(6) .
C32 C51 1.508(10) .
C32 C40 1.55(2) .
C32 C41 1.55(2) .
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' 1.19(2) .
C51' C32' 1.492(10) .
C51' H51D 0.9800 .
C51' H51E 0.9800 .
C51' H51F 0.9800 .
C32' C42' 1.46(6) .
C32' C40' 1.49(2) .
C40' H40D 0.9800 .
C40' H40E 0.9800 .
C40' H40F 0.9800 .
O1W H1WA 0.8567 .
O1W H1WB 0.8531 .
