#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:50:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179396 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/93/4329390.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_4329390
loop_
_publ_author_name
'Verónica Gómez'
'Laure Vendier'
'Montserrat Corbella'
'Jean- Pierre Costes'
_publ_section_title
;
 Tetranuclear [Co-Gd]2 Complexes: Aiming at a Better Understanding of the
 3d-Gd Magnetic Interaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6396
_journal_page_last               6404
_journal_paper_doi               10.1021/ic300711h
_journal_volume                  51
_journal_year                    2012
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C62 H68 Co2 F12 Gd2 N6 O16'
_chemical_formula_sum            'C62 H68 Co2 F12 Gd2 N6 O16'
_chemical_formula_weight         1813.58
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 104.231(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.7513(2)
_cell_length_b                   15.7355(2)
_cell_length_c                   17.8631(3)
_cell_measurement_reflns_used    16740
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      29.1791
_cell_measurement_theta_min      3.4224
_cell_measurement_wavelength     0.71073
_cell_volume                     3474.21(10)
_computing_cell_refinement
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
        (compiled Apr 28 2010,14:27:37)
;
_computing_data_collection
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
        (compiled Apr 28 2010,14:27:37)
;
_computing_data_reduction
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
        (compiled Apr 28 2010,14:27:37)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 16.1978
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0111516
_diffrn_orient_matrix_UB_12      -0.0391618
_diffrn_orient_matrix_UB_13      -0.0199851
_diffrn_orient_matrix_UB_21      -0.0498988
_diffrn_orient_matrix_UB_22      -0.002732
_diffrn_orient_matrix_UB_23      0.0107459
_diffrn_orient_matrix_UB_31      -0.0260945
_diffrn_orient_matrix_UB_32      0.0221158
_diffrn_orient_matrix_UB_33      -0.034104
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36165
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    2.454
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
        (compiled Apr 28 2010,14:27:37)
        empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.057
_refine_diff_density_min         -0.84
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7083
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0385P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                5348
_reflns_number_total             7083
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic300711h_si_002_2.cif
_cod_data_source_block           complex_5
_cod_original_cell_volume        3474.21(9)
_cod_database_code               4329390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1 C -0.1862(3) 0.30152(19) 0.82094(18) 0.0333(7) Uani 1 1 d .
C2 C -0.1813(2) 0.26362(18) 0.89281(17) 0.0291(7) Uani 1 1 d .
C3 C -0.2695(2) 0.2729(2) 0.92577(17) 0.0320(7) Uani 1 1 d .
C4 C -0.3588(3) 0.3218(2) 0.8868(2) 0.0456(9) Uani 1 1 d .
H4 H -0.4194 0.3277 0.9083 0.055 Uiso 1 1 calc R
C5 C -0.3595(3) 0.3610(2) 0.8183(2) 0.0502(10) Uani 1 1 d .
H5 H -0.4194 0.3953 0.7938 0.06 Uiso 1 1 calc R
C6 C -0.2734(3) 0.3511(2) 0.7843(2) 0.0434(9) Uani 1 1 d .
H6 H -0.2743 0.378 0.7366 0.052 Uiso 1 1 calc R
C7 C -0.0899(3) 0.3287(2) 0.7231(2) 0.0513(10) Uani 1 1 d .
H7A H -0.1508 0.3115 0.6806 0.077 Uiso 1 1 calc R
H7B H -0.0217 0.3142 0.7101 0.077 Uiso 1 1 calc R
H7C H -0.093 0.3901 0.7311 0.077 Uiso 1 1 calc R
C8 C -0.2755(3) 0.2317(2) 0.99788(18) 0.0350(7) Uani 1 1 d .
H8 H -0.3444 0.229 1.0093 0.042 Uiso 1 1 calc R
C9 C -0.2082(3) 0.1531(2) 1.11662(18) 0.0365(8) Uani 1 1 d .
C10 C -0.3246(3) 0.1352(3) 1.1191(2) 0.0521(10) Uani 1 1 d .
H10A H -0.3622 0.189 1.1218 0.078 Uiso 1 1 calc R
H10B H -0.3252 0.1007 1.1647 0.078 Uiso 1 1 calc R
H10C H -0.3615 0.1043 1.0724 0.078 Uiso 1 1 calc R
C11 C -0.1519(3) 0.2067(2) 1.1864(2) 0.0493(10) Uani 1 1 d .
H11A H -0.0754 0.2137 1.1867 0.074 Uiso 1 1 calc R
H11B H -0.1575 0.178 1.234 0.074 Uiso 1 1 calc R
H11C H -0.1865 0.2626 1.1833 0.074 Uiso 1 1 calc R
C12 C -0.1472(3) 0.0689(2) 1.11690(18) 0.0344(7) Uani 1 1 d .
H12A H -0.1344 0.0424 1.1686 0.041 Uiso 1 1 calc R
H12B H -0.1918 0.0295 1.0789 0.041 Uiso 1 1 calc R
C13 C 0.1623(2) 0.08757(18) 1.04160(16) 0.0275(7) Uani 1 1 d .
C14 C 0.1334(2) 0.02717(18) 1.09200(15) 0.0255(6) Uani 1 1 d .
C15 C 0.2131(3) -0.0319(2) 1.12747(17) 0.0343(8) Uani 1 1 d .
H15 H 0.1946 -0.0738 1.1603 0.041 Uiso 1 1 calc R
C16 C 0.3155(3) -0.0320(2) 1.11712(19) 0.0395(8) Uani 1 1 d .
H16 H 0.3661 -0.074 1.1413 0.047 Uiso 1 1 calc R
C17 C 0.3448(3) 0.0299(2) 1.07085(18) 0.0371(8) Uani 1 1 d .
H17 H 0.4164 0.0317 1.0642 0.045 Uiso 1 1 calc R
C18 C 0.2692(2) 0.0889(2) 1.03460(17) 0.0337(7) Uani 1 1 d .
H18 H 0.2904 0.1318 1.0039 0.04 Uiso 1 1 calc R
C20 C 0.1299(4) 0.2881(3) 1.1402(2) 0.0678(13) Uani 1 1 d .
H20A H 0.1706 0.2369 1.1318 0.081 Uiso 1 1 calc R
H20B H 0.1024 0.278 1.1867 0.081 Uiso 1 1 calc R
C21 C 0.2069(4) 0.3635(3) 1.1553(3) 0.0909(17) Uani 1 1 d .
H21A H 0.2402 0.3714 1.1113 0.109 Uiso 1 1 calc R
H21B H 0.2654 0.3532 1.2023 0.109 Uiso 1 1 calc R
C22 C 0.1435(5) 0.4430(3) 1.1660(3) 0.103(2) Uani 1 1 d .
H22A H 0.1918 0.4932 1.1731 0.124 Uiso 1 1 calc R
H22B H 0.1154 0.4368 1.2127 0.124 Uiso 1 1 calc R
C23 C 0.0487(5) 0.4558(3) 1.0945(3) 0.0922(17) Uani 1 1 d .
H23A H 0.0776 0.4675 1.0489 0.111 Uiso 1 1 calc R
H23B H 0.0055 0.5057 1.1028 0.111 Uiso 1 1 calc R
C24 C -0.0250(4) 0.3761(2) 1.0788(3) 0.0628(12) Uani 1 1 d .
H24A H -0.0621 0.3693 1.1211 0.075 Uiso 1 1 calc R
H24B H -0.0811 0.384 1.03 0.075 Uiso 1 1 calc R
C25 C 0.0926(3) 0.1213(2) 0.70004(19) 0.0384(8) Uani 1 1 d .
C26 C 0.2029(3) 0.1016(2) 0.72688(19) 0.0405(8) Uani 1 1 d .
H26 H 0.2404 0.0792 0.6915 0.049 Uiso 1 1 calc R
C27 C 0.2587(3) 0.1136(2) 0.8027(2) 0.0388(8) Uani 1 1 d .
C28 C 0.0388(4) 0.1042(3) 0.6147(2) 0.0541(10) Uani 1 1 d .
C29 C 0.3808(3) 0.1004(3) 0.8246(2) 0.0548(11) Uani 1 1 d .
C30 C -0.0254(3) -0.01940(18) 0.88949(16) 0.0287(7) Uani 1 1 d .
C31 C 0.1727(3) 0.3378(2) 0.8832(2) 0.0517(10) Uani 1 1 d .
C32 C 0.2501(5) 0.4117(3) 0.8973(3) 0.107(2) Uani 1 1 d .
H32A H 0.3209 0.3926 0.9278 0.161 Uiso 1 1 calc R
H32B H 0.2222 0.4562 0.9256 0.161 Uiso 1 1 calc R
H32C H 0.2574 0.4343 0.8478 0.161 Uiso 1 1 calc R
N1 N -0.04289(19) 0.08297(14) 1.09742(13) 0.0256(5) Uani 1 1 d .
N2 N -0.1959(2) 0.19925(15) 1.04639(14) 0.0317(6) Uani 1 1 d .
N4 N 0.0372(3) 0.29940(17) 1.07331(18) 0.0496(8) Uani 1 1 d .
H19 H 0.0706 0.3133 1.0342 0.059 Uiso 1 1 calc R
O1 O 0.09295(16) 0.14345(13) 0.99963(11) 0.0317(5) Uani 1 1 d .
O2 O -0.09291(16) 0.21827(12) 0.92334(11) 0.0281(5) Uani 1 1 d .
O3 O -0.00550(18) 0.05028(13) 0.85830(12) 0.0369(5) Uani 1 1 d .
O4 O -0.09613(18) 0.28468(14) 0.79276(12) 0.0395(6) Uani 1 1 d .
O5 O 0.03136(18) 0.15195(15) 0.73615(12) 0.0381(5) Uani 1 1 d .
O6 O 0.22227(17) 0.13657(15) 0.85806(13) 0.0404(6) Uani 1 1 d .
O7 O 0.1389(3) 0.30875(16) 0.93915(15) 0.0639(8) Uani 1 1 d .
O8 O 0.1445(2) 0.30541(16) 0.81873(14) 0.0501(6) Uani 1 1 d .
Co1 Co -0.04056(3) 0.18499(3) 1.03359(2) 0.02766(9) Uani 1 1 d .
Gd1 Gd 0.051506(12) 0.187199(9) 0.869320(8) 0.02901(6) Uani 1 1 d .
F1 F -0.0217(2) 0.1675(2) 0.58227(14) 0.0960(10) Uani 1 1 d .
F2 F 0.1100(2) 0.0952(2) 0.57093(13) 0.0921(9) Uani 1 1 d .
F3 F -0.0174(3) 0.0356(2) 0.60540(17) 0.1338(15) Uani 1 1 d .
F4 F 0.4150(2) 0.0515(3) 0.77470(17) 0.1174(12) Uani 1 1 d .
F5 F 0.4329(2) 0.17193(19) 0.8284(2) 0.1096(12) Uani 1 1 d .
F6 F 0.41464(17) 0.06397(17) 0.89227(14) 0.0745(7) Uani 1 1 d .
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 0 '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 0.006 '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'
F F 0.0171 0.0103 '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
C6 C1 O4 125.2(3) . .
C6 C1 C2 121.4(3) . .
O4 C1 C2 113.4(3) . .
O2 C2 C3 124.8(3) . .
O2 C2 C1 116.4(3) . .
C3 C2 C1 118.8(3) . .
C2 C3 C4 119.0(3) . .
C2 C3 C8 123.1(3) . .
C4 C3 C8 117.9(3) . .
C5 C4 C3 121.1(3) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
C4 C5 C6 120.5(3) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C1 C6 C5 119.2(3) . .
C1 C6 H6 120.4 . .
C5 C6 H6 120.4 . .
O4 C7 H7A 109.5 . .
O4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
O4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N2 C8 C3 125.0(3) . .
N2 C8 H8 117.5 . .
C3 C8 H8 117.5 . .
N2 C9 C10 114.8(3) . .
N2 C9 C11 107.0(3) . .
C10 C9 C11 110.1(3) . .
N2 C9 C12 105.3(2) . .
C10 C9 C12 109.7(3) . .
C11 C9 C12 109.7(3) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N1 C12 C9 110.9(3) . .
N1 C12 H12A 109.5 . .
C9 C12 H12A 109.5 . .
N1 C12 H12B 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 108 . .
O1 C13 C18 117.7(3) . .
O1 C13 C14 123.8(3) . .
C18 C13 C14 118.5(3) . .
C15 C14 C13 117.2(3) . .
C15 C14 C30 116.6(3) . 3_557
C13 C14 C30 126.2(3) . 3_557
C16 C15 C14 123.3(3) . .
C16 C15 H15 118.3 . .
C14 C15 H15 118.3 . .
C15 C16 C17 119.2(3) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C18 C17 C16 119.5(3) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C13 122.1(3) . .
C17 C18 H18 118.9 . .
C13 C18 H18 118.9 . .
N4 C20 C21 113.9(4) . .
N4 C20 H20A 108.8 . .
C21 C20 H20A 108.8 . .
N4 C20 H20B 108.8 . .
C21 C20 H20B 108.8 . .
H20A C20 H20B 107.7 . .
C20 C21 C22 108.8(4) . .
C20 C21 H21A 109.9 . .
C22 C21 H21A 109.9 . .
C20 C21 H21B 109.9 . .
C22 C21 H21B 109.9 . .
H21A C21 H21B 108.3 . .
C21 C22 C23 109.6(4) . .
C21 C22 H22A 109.8 . .
C23 C22 H22A 109.8 . .
C21 C22 H22B 109.8 . .
C23 C22 H22B 109.8 . .
H22A C22 H22B 108.2 . .
C22 C23 C24 111.1(4) . .
C22 C23 H23A 109.4 . .
C24 C23 H23A 109.4 . .
C22 C23 H23B 109.4 . .
C24 C23 H23B 109.4 . .
H23A C23 H23B 108 . .
N4 C24 C23 111.4(4) . .
N4 C24 H24A 109.4 . .
C23 C24 H24A 109.4 . .
N4 C24 H24B 109.4 . .
C23 C24 H24B 109.4 . .
H24A C24 H24B 108 . .
O5 C25 C26 128.4(3) . .
O5 C25 C28 113.8(3) . .
C26 C25 C28 117.8(3) . .
C27 C26 C25 122.5(3) . .
C27 C26 H26 118.8 . .
C25 C26 H26 118.8 . .
O6 C27 C26 128.1(3) . .
O6 C27 C29 113.1(3) . .
C26 C27 C29 118.8(3) . .
F3 C28 F1 109.6(4) . .
F3 C28 F2 105.7(4) . .
F1 C28 F2 103.4(3) . .
F3 C28 C25 112.1(3) . .
F1 C28 C25 112.3(3) . .
F2 C28 C25 113.3(3) . .
F5 C29 F6 106.4(4) . .
F5 C29 F4 106.7(4) . .
F6 C29 F4 106.1(3) . .
F5 C29 C27 111.8(3) . .
F6 C29 C27 112.4(3) . .
F4 C29 C27 112.9(4) . .
O3 C30 N1 122.4(3) . 3_557
O3 C30 C14 117.2(3) . 3_557
N1 C30 C14 120.4(3) 3_557 3_557
O8 C31 O7 120.7(3) . .
O8 C31 C32 120.4(4) . .
O7 C31 C32 118.8(4) . .
O8 C31 Gd1 62.57(19) . .
O7 C31 Gd1 58.55(19) . .
C32 C31 Gd1 172.3(3) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C30 N1 C12 116.3(2) 3_557 .
C30 N1 Co1 128.4(2) 3_557 .
C12 N1 Co1 113.67(18) . .
C8 N2 C9 122.5(3) . .
C8 N2 Co1 126.7(2) . .
C9 N2 Co1 110.08(19) . .
C24 N4 C20 112.7(3) . .
C24 N4 Co1 120.9(3) . .
C20 N4 Co1 113.0(2) . .
C24 N4 H19 102.3 . .
C20 N4 H19 102.3 . .
Co1 N4 H19 102.3 . .
C13 O1 Co1 121.74(18) . .
C13 O1 Gd1 134.53(18) . .
Co1 O1 Gd1 101.42(8) . .
C2 O2 Co1 126.21(19) . .
C2 O2 Gd1 128.17(18) . .
Co1 O2 Gd1 104.35(8) . .
C30 O3 Gd1 150.21(19) . .
C1 O4 C7 116.6(2) . .
C1 O4 Gd1 119.20(17) . .
C7 O4 Gd1 124.1(2) . .
C25 O5 Gd1 133.4(2) . .
C27 O6 Gd1 133.9(2) . .
C31 O7 Gd1 94.7(2) . .
C31 O8 Gd1 91.5(2) . .
N1 Co1 O2 137.52(9) . .
N1 Co1 O1 92.47(9) . .
O2 Co1 O1 83.79(8) . .
N1 Co1 N2 82.71(10) . .
O2 Co1 N2 89.05(9) . .
O1 Co1 N2 163.39(9) . .
N1 Co1 N4 125.24(11) . .
O2 Co1 N4 97.18(10) . .
O1 Co1 N4 90.91(11) . .
N2 Co1 N4 104.88(12) . .
N1 Co1 Gd1 124.15(7) . .
O2 Co1 Gd1 41.36(6) . .
O1 Co1 Gd1 42.58(5) . .
N2 Co1 Gd1 129.52(7) . .
N4 Co1 Gd1 92.76(10) . .
O3 Gd1 O2 88.07(7) . .
O3 Gd1 O1 78.32(7) . .
O2 Gd1 O1 70.18(7) . .
O3 Gd1 O6 87.41(8) . .
O2 Gd1 O6 160.07(7) . .
O1 Gd1 O6 89.89(7) . .
O3 Gd1 O5 74.91(8) . .
O2 Gd1 O5 123.86(7) . .
O1 Gd1 O5 148.87(8) . .
O6 Gd1 O5 73.42(8) . .
O3 Gd1 O7 154.10(8) . .
O2 Gd1 O7 86.03(9) . .
O1 Gd1 O7 75.95(8) . .
O6 Gd1 O7 89.62(10) . .
O5 Gd1 O7 128.55(8) . .
O3 Gd1 O8 148.10(8) . .
O2 Gd1 O8 119.22(8) . .
O1 Gd1 O8 124.36(8) . .
O6 Gd1 O8 72.04(8) . .
O5 Gd1 O8 75.94(8) . .
O7 Gd1 O8 52.61(8) . .
O3 Gd1 O4 110.27(8) . .
O2 Gd1 O4 62.72(7) . .
O1 Gd1 O4 131.41(7) . .
O6 Gd1 O4 136.75(7) . .
O5 Gd1 O4 73.84(7) . .
O7 Gd1 O4 89.23(9) . .
O8 Gd1 O4 73.19(8) . .
O3 Gd1 C31 165.46(10) . .
O2 Gd1 C31 105.09(10) . .
O1 Gd1 C31 100.03(10) . .
O6 Gd1 C31 78.11(11) . .
O5 Gd1 C31 101.87(10) . .
O7 Gd1 C31 26.75(10) . .
O8 Gd1 C31 25.97(9) . .
O4 Gd1 C31 81.81(10) . .
O3 Gd1 Co1 83.94(5) . .
O2 Gd1 Co1 34.30(5) . .
O1 Gd1 Co1 36.00(5) . .
O6 Gd1 Co1 125.82(5) . .
O5 Gd1 Co1 151.05(5) . .
O7 Gd1 Co1 77.03(6) . .
O8 Gd1 Co1 127.83(6) . .
O4 Gd1 Co1 95.88(5) . .
C31 Gd1 Co1 103.34(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.384(4) .
C1 O4 1.388(4) .
C1 C2 1.403(4) .
C2 O2 1.332(3) .
C2 C3 1.400(4) .
C3 C4 1.408(4) .
C3 C8 1.461(4) .
C4 C5 1.368(5) .
C4 H4 0.95 .
C5 C6 1.387(5) .
C5 H5 0.95 .
C6 H6 0.95 .
C7 O4 1.444(4) .
C7 H7A 0.98 .
C7 H7B 0.98 .
C7 H7C 0.98 .
C8 N2 1.269(4) .
C8 H8 0.95 .
C9 N2 1.491(4) .
C9 C10 1.523(5) .
C9 C11 1.530(5) .
C9 C12 1.535(4) .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 H11A 0.98 .
C11 H11B 0.98 .
C11 H11C 0.98 .
C12 N1 1.472(4) .
C12 H12A 0.99 .
C12 H12B 0.99 .
C13 O1 1.338(3) .
C13 C18 1.399(4) .
C13 C14 1.419(4) .
C14 C15 1.408(4) .
C14 C30 1.498(4) 3_557
C15 C16 1.363(5) .
C15 H15 0.95 .
C16 C17 1.387(5) .
C16 H16 0.95 .
C17 C18 1.379(4) .
C17 H17 0.95 .
C18 H18 0.95 .
C20 N4 1.470(5) .
C20 C21 1.522(6) .
C20 H20A 0.99 .
C20 H20B 0.99 .
C21 C22 1.526(7) .
C21 H21A 0.99 .
C21 H21B 0.99 .
C22 C23 1.541(7) .
C22 H22A 0.99 .
C22 H22B 0.99 .
C23 C24 1.552(6) .
C23 H23A 0.99 .
C23 H23B 0.99 .
C24 N4 1.461(5) .
C24 H24A 0.99 .
C24 H24B 0.99 .
C25 O5 1.227(4) .
C25 C26 1.404(5) .
C25 C28 1.533(5) .
C26 C27 1.379(5) .
C26 H26 0.95 .
C27 O6 1.246(4) .
C27 C29 1.524(5) .
C28 F3 1.284(5) .
C28 F1 1.305(4) .
C28 F2 1.344(5) .
C29 F5 1.301(5) .
C29 F6 1.311(4) .
C29 F4 1.330(5) .
C30 O3 1.283(3) .
C30 N1 1.309(4) 3_557
C30 C14 1.498(4) 3_557
C31 O8 1.229(4) .
C31 O7 1.267(4) .
C31 C32 1.505(6) .
C31 Gd1 2.807(4) .
C32 H32A 0.98 .
C32 H32B 0.98 .
C32 H32C 0.98 .
N1 C30 1.309(4) 3_557
N1 Co1 1.973(2) .
N2 Co1 2.061(3) .
N4 Co1 2.093(3) .
N4 H19 0.93 .
O1 Co1 2.050(2) .
O1 Gd1 2.3593(19) .
O2 Co1 1.9880(19) .
O2 Gd1 2.331(2) .
O3 Gd1 2.267(2) .
O4 Gd1 2.550(2) .
O5 Gd1 2.394(2) .
O6 Gd1 2.373(2) .
O7 Gd1 2.402(3) .
O8 Gd1 2.492(2) .
Co1 Gd1 3.4181(4) .
