#------------------------------------------------------------------------------
#$Date: 2019-11-23 05:47:06 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232263 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/73/4347315.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_4347315
loop_
_publ_author_name
'Zhu, Mei'
'Li, Cun'
'Wang, Xiufeng'
'Li, Licun'
'Sutter, Jean-Pascal'
_publ_section_title
;
 Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain
 Compound.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2676
_journal_page_last               2678
_journal_paper_doi               10.1021/acs.inorgchem.6b00004
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C47 H35 Cu F30 Gd N8 O14'
_chemical_formula_sum            'C47 H35 Cu F30 Gd N8 O14'
_chemical_formula_weight         1726.63
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 108.29(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.580(3)
_cell_length_b                   11.217(2)
_cell_length_c                   20.130(4)
_cell_measurement_reflns_used    8815
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      34.9402
_cell_measurement_theta_min      1.8156
_cell_volume                     3125.8(12)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_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      113(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27796
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.548
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.2300
_exptl_crystal_size_mid          0.2100
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         3.465
_refine_diff_density_min         -2.325
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         5523
_refine_ls_number_restraints     88
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0789
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+45.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2009
_refine_ls_wR_factor_ref         0.2057
_reflns_number_gt                4894
_reflns_number_total             5523
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00004_si_003.cif
_cod_data_source_block           Gd113K
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               4347315
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
Gd1 Gd 0.5000 0.41020(5) 0.2500 0.0261(2) Uani 1 2 d S
Cu1 Cu 0.0000 0.09640(12) 0.2500 0.0298(4) Uani 1 2 d SU
F4 F 0.6842(12) -0.0147(14) 0.2957(7) 0.168(5) Uani 1 1 d U
F5 F 0.7574(6) 0.1018(8) 0.3732(5) 0.085(3) Uani 1 1 d U
F6 F 0.6359(12) 0.0081(18) 0.3672(9) 0.188(6) Uani 1 1 d U
F7 F 0.6296(10) 0.7155(8) 0.1293(7) 0.134(5) Uani 1 1 d .
F8 F 0.4874(8) 0.7793(13) 0.0938(5) 0.145(6) Uani 1 1 d .
F9 F 0.5907(8) 0.8710(7) 0.1684(5) 0.093(3) Uani 1 1 d .
F10 F 0.2192(7) -0.2266(10) 0.2105(10) 0.169(7) Uani 1 1 d .
F11 F 0.1257(13) -0.2846(9) 0.2620(6) 0.156(6) Uani 1 1 d .
F12 F 0.0965(7) -0.3137(7) 0.1549(5) 0.100(3) Uani 1 1 d .
F13 F -0.0973(4) -0.0507(5) -0.0108(2) 0.0371(12) Uani 1 1 d .
F14 F -0.2048(4) 0.0150(7) 0.0328(3) 0.0574(17) Uani 1 1 d .
F15 F -0.1029(5) 0.1365(5) 0.0113(3) 0.0452(14) Uani 1 1 d .
O1 O 0.5577(4) 0.3267(5) 0.1629(3) 0.0339(14) Uani 1 1 d D
O2 O 0.6021(4) 0.2482(5) 0.3019(3) 0.0308(13) Uani 1 1 d D
O3 O 0.5443(4) 0.5788(5) 0.1956(3) 0.0304(13) Uani 1 1 d .
O4 O 0.3530(4) 0.4901(5) 0.1730(3) 0.0298(13) Uani 1 1 d .
O5 O 0.0611(4) 0.3282(7) 0.0413(3) 0.0407(16) Uani 1 1 d .
O6 O 0.0930(8) -0.0473(6) 0.2441(3) 0.068(3) Uani 1 1 d U
O7 O -0.0497(5) 0.0958(5) 0.1490(3) 0.0353(15) Uani 1 1 d .
N1 N 0.2812(5) 0.4557(6) 0.1196(3) 0.0247(14) Uani 1 1 d .
N2 N 0.1430(5) 0.3789(7) 0.0575(4) 0.0285(16) Uani 1 1 d .
N3 N 0.1990(6) 0.4016(6) 0.3081(4) 0.0320(16) Uani 1 1 d .
N4 N 0.1030(5) 0.2393(6) 0.2475(3) 0.0234(14) Uani 1 1 d .
C1 C 0.6754(7) 0.0628(8) 0.3345(5) 0.038(2) Uani 1 1 d DU
C2 C 0.6298(7) 0.1643(11) 0.2770(7) 0.064(3) Uani 1 1 d DU
C3 C 0.6268(10) 0.1441(13) 0.2076(7) 0.067(3) Uani 1 1 d DU
H3 H 0.6534 0.0743 0.1968 0.081 Uiso 1 1 calc R
C4 C 0.5835(9) 0.2282(9) 0.1527(6) 0.069(4) Uani 1 1 d DU
C5 C 0.5924(10) 0.1949(11) 0.0839(6) 0.062(3) Uani 1 1 d DU
C6 C 0.5626(8) 0.7630(9) 0.1479(5) 0.043(2) Uani 1 1 d .
C7 C 0.5343(6) 0.6888(8) 0.2017(5) 0.0308(19) Uani 1 1 d .
C8 C 0.5000 0.7494(12) 0.2500 0.033(3) Uani 1 2 d S
H8 H 0.5000 0.8323 0.2500 0.039 Uiso 1 2 calc SR
C9 C 0.2189(6) 0.4313(8) 0.2498(4) 0.0283(18) Uani 1 1 d .
H9 H 0.2584 0.4967 0.2505 0.034 Uiso 1 1 calc R
C10 C 0.1818(6) 0.3662(7) 0.1876(4) 0.0239(16) Uani 1 1 d .
C11 C 0.1226(6) 0.2688(7) 0.1894(4) 0.0244(16) Uani 1 1 d .
H11 H 0.0965 0.2237 0.1492 0.029 Uiso 1 1 calc R
C12 C 0.1427(6) 0.3072(8) 0.3040(4) 0.0292(18) Uani 1 1 d .
H12 H 0.1294 0.2858 0.3447 0.035 Uiso 1 1 calc R
C13 C 0.2027(6) 0.3993(7) 0.1235(4) 0.0239(17) Uani 1 1 d .
C14 C 0.2448(8) 0.6269(9) 0.0435(6) 0.042(2) Uani 1 1 d .
H14A H 0.1813 0.6344 0.0477 0.063 Uiso 1 1 calc R
H14B H 0.2453 0.6602 -0.0004 0.063 Uiso 1 1 calc R
H14C H 0.2903 0.6689 0.0812 0.063 Uiso 1 1 calc R
C15 C 0.3694(7) 0.4778(9) 0.0335(5) 0.037(2) Uani 1 1 d .
H15A H 0.4135 0.5385 0.0581 0.055 Uiso 1 1 calc R
H15B H 0.3603 0.4842 -0.0158 0.055 Uiso 1 1 calc R
H15C H 0.3954 0.4007 0.0498 0.055 Uiso 1 1 calc R
C16 C 0.2730(6) 0.4938(8) 0.0465(4) 0.0285(18) Uani 1 1 d .
C17 C 0.1907(6) 0.4114(9) 0.0028(4) 0.034(2) Uani 1 1 d .
C18 C 0.2273(8) 0.2941(9) -0.0183(6) 0.047(3) Uani 1 1 d .
H18A H 0.2677 0.2544 0.0227 0.070 Uiso 1 1 calc R
H18B H 0.2639 0.3103 -0.0495 0.070 Uiso 1 1 calc R
H18C H 0.1733 0.2440 -0.0414 0.070 Uiso 1 1 calc R
C19 C 0.1165(8) 0.4684(12) -0.0601(5) 0.052(3) Uani 1 1 d .
H19A H 0.0661 0.4121 -0.0809 0.079 Uiso 1 1 calc R
H19B H 0.1474 0.4917 -0.0938 0.079 Uiso 1 1 calc R
H19C H 0.0894 0.5375 -0.0451 0.079 Uiso 1 1 calc R
C20 C -0.1113(6) 0.0264(8) 0.0369(4) 0.034(2) Uani 1 1 d D
C21 C -0.0466(6) 0.0098(8) 0.1076(4) 0.0304(19) Uani 1 1 d D
C22 C 0.0095(7) -0.0937(7) 0.1257(4) 0.0299(18) Uani 1 1 d .
H22 H 0.0034 -0.1515 0.0914 0.036 Uiso 1 1 calc R
C23 C 0.0744(8) -0.1148(9) 0.1924(5) 0.043(2) Uani 1 1 d .
C24 C 0.1283(8) -0.2346(10) 0.2056(6) 0.049(3) Uani 1 1 d U
F1 F 0.6982(12) 0.1446(16) 0.1367(10) 0.177(6) Uani 1 1 d U
F2 F 0.6277(9) 0.2744(9) 0.0568(5) 0.111(3) Uani 1 1 d U
F3 F 0.5985(10) 0.0905(9) 0.0610(6) 0.117(4) Uani 1 1 d U
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'
Cu Cu 0.3201 1.2651 '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'
Gd Gd -0.1653 3.9035 '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'
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
O1 Gd1 O1 133.3(3) . 2_655
O1 Gd1 O2 71.9(2) . 2_655
O1 Gd1 O2 72.8(2) 2_655 2_655
O1 Gd1 O2 72.8(2) . .
O1 Gd1 O2 71.9(2) 2_655 .
O2 Gd1 O2 80.1(3) 2_655 .
O1 Gd1 O3 150.4(2) . 2_655
O1 Gd1 O3 76.2(2) 2_655 2_655
O2 Gd1 O3 126.1(2) 2_655 2_655
O2 Gd1 O3 129.1(2) . 2_655
O1 Gd1 O3 76.2(2) . .
O1 Gd1 O3 150.4(2) 2_655 .
O2 Gd1 O3 129.1(2) 2_655 .
O2 Gd1 O3 126.1(2) . .
O3 Gd1 O3 74.4(3) 2_655 .
O1 Gd1 O4 100.0(2) . 2_655
O1 Gd1 O4 97.1(2) 2_655 2_655
O2 Gd1 O4 152.1(2) 2_655 2_655
O2 Gd1 O4 72.0(2) . 2_655
O3 Gd1 O4 73.8(2) 2_655 2_655
O3 Gd1 O4 71.5(2) . 2_655
O1 Gd1 O4 97.1(2) . .
O1 Gd1 O4 100.0(2) 2_655 .
O2 Gd1 O4 72.0(2) 2_655 .
O2 Gd1 O4 152.1(2) . .
O3 Gd1 O4 71.5(2) 2_655 .
O3 Gd1 O4 73.8(2) . .
O4 Gd1 O4 136.0(3) 2_655 .
O7 Cu1 O7 179.6(4) 2 .
O7 Cu1 O6 88.5(3) 2 2
O7 Cu1 O6 91.2(3) . 2
O7 Cu1 O6 91.2(3) 2 .
O7 Cu1 O6 88.5(3) . .
O6 Cu1 O6 81.9(5) 2 .
O7 Cu1 N4 89.7(3) 2 .
O7 Cu1 N4 90.6(3) . .
O6 Cu1 N4 176.9(3) 2 .
O6 Cu1 N4 95.7(3) . .
O7 Cu1 N4 90.6(3) 2 2
O7 Cu1 N4 89.7(3) . 2
O6 Cu1 N4 95.7(3) 2 2
O6 Cu1 N4 176.9(3) . 2
N4 Cu1 N4 86.9(3) . 2
C4 O1 Gd1 133.8(7) . .
C2 O2 Gd1 131.7(8) . .
C7 O3 Gd1 133.0(6) . .
N1 O4 Gd1 138.5(5) . .
C23 O6 Cu1 122.1(8) . .
C21 O7 Cu1 127.4(5) . .
O4 N1 C13 125.0(7) . .
O4 N1 C16 121.5(6) . .
C13 N1 C16 112.8(7) . .
O5 N2 C13 126.1(7) . .
O5 N2 C17 121.9(7) . .
C13 N2 C17 111.7(7) . .
C12 N3 C9 116.4(7) . .
C11 N4 C12 116.7(7) . .
C11 N4 Cu1 122.5(5) . .
C12 N4 Cu1 120.6(5) . .
F6 C1 F4 99.0(15) . .
F6 C1 F5 111.4(12) . .
F4 C1 F5 111.9(12) . .
F6 C1 C2 127.5(12) . .
F4 C1 C2 98.6(12) . .
F5 C1 C2 107.0(7) . .
O2 C2 C3 129.6(13) . .
O2 C2 C1 111.8(11) . .
C3 C2 C1 118.6(11) . .
C2 C3 C4 121.9(13) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
O1 C4 C3 123.7(11) . .
O1 C4 C5 121.0(10) . .
C3 C4 C5 114.1(10) . .
F2 C5 F3 114.8(11) . .
F2 C5 C4 113.7(10) . .
F3 C5 C4 127.4(11) . .
F2 C5 F1 95.5(12) . .
F3 C5 F1 76.4(12) . .
C4 C5 F1 79.9(10) . .
F7 C6 F8 109.7(12) . .
F7 C6 F9 106.8(10) . .
F8 C6 F9 103.5(11) . .
F7 C6 C7 112.8(9) . .
F8 C6 C7 109.3(9) . .
F9 C6 C7 114.3(9) . .
O3 C7 C8 128.6(9) . .
O3 C7 C6 113.7(8) . .
C8 C7 C6 117.7(9) . .
C7 C8 C7 122.0(12) 2_655 .
C7 C8 H8 119.0 2_655 .
C7 C8 H8 119.0 . .
N3 C9 C10 121.7(8) . .
N3 C9 H9 119.2 . .
C10 C9 H9 119.2 . .
C11 C10 C9 116.8(7) . .
C11 C10 C13 121.4(7) . .
C9 C10 C13 121.8(8) . .
N4 C11 C10 121.5(7) . .
N4 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
N3 C12 N4 126.9(8) . .
N3 C12 H12 116.6 . .
N4 C12 H12 116.6 . .
N1 C13 N2 108.7(7) . .
N1 C13 C10 126.4(7) . .
N2 C13 C10 124.9(7) . .
C16 C14 H14A 109.5 . .
C16 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C16 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 H15A 109.5 . .
C16 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C16 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N1 C16 C15 110.0(7) . .
N1 C16 C14 104.6(7) . .
C15 C16 C14 110.9(7) . .
N1 C16 C17 101.3(6) . .
C15 C16 C17 115.2(8) . .
C14 C16 C17 113.8(8) . .
N2 C17 C19 109.6(7) . .
N2 C17 C18 105.9(7) . .
C19 C17 C18 110.4(9) . .
N2 C17 C16 100.4(7) . .
C19 C17 C16 116.2(8) . .
C18 C17 C16 113.2(8) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
F14 C20 F13 105.8(7) . .
F14 C20 F15 105.9(7) . .
F13 C20 F15 105.0(7) . .
F14 C20 C21 112.4(8) . .
F13 C20 C21 114.6(7) . .
F15 C20 C21 112.4(7) . .
O7 C21 C22 126.1(7) . .
O7 C21 C20 113.3(8) . .
C22 C21 C20 120.5(7) . .
C23 C22 C21 123.6(8) . .
C23 C22 H22 118.2 . .
C21 C22 H22 118.2 . .
O6 C23 C22 127.1(10) . .
O6 C23 C24 115.0(9) . .
C22 C23 C24 117.9(9) . .
F11 C24 F10 106.1(13) . .
F11 C24 F12 106.8(11) . .
F10 C24 F12 102.0(13) . .
F11 C24 C23 112.4(11) . .
F10 C24 C23 114.0(10) . .
F12 C24 C23 114.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.364(6) .
Gd1 O1 2.364(6) 2_655
Gd1 O2 2.374(6) 2_655
Gd1 O2 2.374(6) .
Gd1 O3 2.374(6) 2_655
Gd1 O3 2.374(6) .
Gd1 O4 2.390(6) 2_655
Gd1 O4 2.390(6) .
Cu1 O7 1.932(6) 2
Cu1 O7 1.932(6) .
Cu1 O6 2.133(10) 2
Cu1 O6 2.133(10) .
Cu1 N4 2.208(7) .
Cu1 N4 2.208(7) 2
F4 C1 1.202(15) .
F5 C1 1.282(12) .
F6 C1 1.174(16) .
F7 C6 1.268(14) .
F8 C6 1.294(14) .
F9 C6 1.304(12) .
F10 C24 1.300(16) .
F11 C24 1.277(14) .
F12 C24 1.322(13) .
F13 C20 1.355(10) .
F14 C20 1.345(11) .
F15 C20 1.358(11) .
O1 C4 1.206(8) .
O2 C2 1.195(15) .
O3 C7 1.253(10) .
O4 N1 1.302(9) .
O5 N2 1.269(9) .
O6 C23 1.245(12) .
O7 C21 1.284(10) .
N1 C13 1.333(11) .
N1 C16 1.500(10) .
N2 C13 1.359(11) .
N2 C17 1.520(10) .
N3 C12 1.327(11) .
N3 C9 1.336(11) .
N4 C11 1.329(10) .
N4 C12 1.340(11) .
C1 C2 1.611(17) .
C2 C3 1.401(19) .
C3 C4 1.439(18) .
C3 H3 0.9300 .
C4 C5 1.479(9) .
C5 F2 1.239(14) .
C5 F3 1.271(14) .
C5 F1 1.67(2) .
C6 C7 1.522(13) .
C7 C8 1.400(11) .
C8 C7 1.400(11) 2_655
C8 H8 0.9300 .
C9 C10 1.402(12) .
C9 H9 0.9300 .
C10 C11 1.400(12) .
C10 C13 1.464(11) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C14 C16 1.545(12) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.519(12) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.551(13) .
C17 C19 1.524(13) .
C17 C18 1.530(14) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.452(8) .
C21 C22 1.401(12) .
C22 C23 1.400(13) .
C22 H22 0.9300 .
C23 C24 1.537(15) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Gd1 O1 C4 -14.3(10) 2_655 .
O2 Gd1 O1 C4 -56.9(10) 2_655 .
O2 Gd1 O1 C4 28.1(10) . .
O3 Gd1 O1 C4 170.3(10) 2_655 .
O3 Gd1 O1 C4 163.4(11) . .
O4 Gd1 O1 C4 95.5(10) 2_655 .
O4 Gd1 O1 C4 -125.2(10) . .
O1 Gd1 O2 C2 -19.4(7) . .
O1 Gd1 O2 C2 129.6(7) 2_655 .
O2 Gd1 O2 C2 54.6(6) 2_655 .
O3 Gd1 O2 C2 -176.4(6) 2_655 .
O3 Gd1 O2 C2 -77.0(7) . .
O4 Gd1 O2 C2 -126.4(7) 2_655 .
O4 Gd1 O2 C2 52.5(9) . .
O1 Gd1 O3 C7 173.2(8) . .
O1 Gd1 O3 C7 -10.2(10) 2_655 .
O2 Gd1 O3 C7 120.8(7) 2_655 .
O2 Gd1 O3 C7 -130.6(7) . .
O3 Gd1 O3 C7 -3.3(6) 2_655 .
O4 Gd1 O3 C7 -81.0(8) 2_655 .
O4 Gd1 O3 C7 71.5(8) . .
O1 Gd1 O4 N1 47.7(7) . .
O1 Gd1 O4 N1 -88.7(7) 2_655 .
O2 Gd1 O4 N1 -20.6(7) 2_655 .
O2 Gd1 O4 N1 -18.5(9) . .
O3 Gd1 O4 N1 -160.4(7) 2_655 .
O3 Gd1 O4 N1 121.1(7) . .
O4 Gd1 O4 N1 160.1(7) 2_655 .
O7 Cu1 O6 C23 156.4(9) 2 .
O7 Cu1 O6 C23 -23.4(9) . .
O6 Cu1 O6 C23 68.1(8) 2 .
N4 Cu1 O6 C23 -113.9(9) . .
N4 Cu1 O6 C23 30(6) 2 .
O7 Cu1 O7 C21 -19.5(8) 2 .
O6 Cu1 O7 C21 -60.4(8) 2 .
O6 Cu1 O7 C21 21.4(8) . .
N4 Cu1 O7 C21 117.0(8) . .
N4 Cu1 O7 C21 -156.1(8) 2 .
Gd1 O4 N1 C13 86.4(10) . .
Gd1 O4 N1 C16 -103.4(8) . .
O7 Cu1 N4 C11 165.3(6) 2 .
O7 Cu1 N4 C11 -14.5(6) . .
O6 Cu1 N4 C11 112(5) 2 .
O6 Cu1 N4 C11 74.1(6) . .
N4 Cu1 N4 C11 -104.1(7) 2 .
O7 Cu1 N4 C12 -20.3(7) 2 .
O7 Cu1 N4 C12 160.0(7) . .
O6 Cu1 N4 C12 -74(5) 2 .
O6 Cu1 N4 C12 -111.5(6) . .
N4 Cu1 N4 C12 70.4(6) 2 .
Gd1 O2 C2 C3 14.0(13) . .
Gd1 O2 C2 C1 -165.3(5) . .
F6 C1 C2 O2 62.5(16) . .
F4 C1 C2 O2 170.9(12) . .
F5 C1 C2 O2 -73.0(9) . .
F6 C1 C2 C3 -116.9(17) . .
F4 C1 C2 C3 -8.5(13) . .
F5 C1 C2 C3 107.6(11) . .
O2 C2 C3 C4 -1.9(18) . .
C1 C2 C3 C4 177.3(9) . .
Gd1 O1 C4 C3 -29.4(18) . .
Gd1 O1 C4 C5 164.1(8) . .
C2 C3 C4 O1 9.2(19) . .
C2 C3 C4 C5 176.5(11) . .
O1 C4 C5 F2 40.6(19) . .
C3 C4 C5 F2 -127.1(14) . .
O1 C4 C5 F3 -163.8(15) . .
C3 C4 C5 F3 29(2) . .
O1 C4 C5 F1 132.2(13) . .
C3 C4 C5 F1 -35.5(12) . .
Gd1 O3 C7 C8 6.9(13) . .
Gd1 O3 C7 C6 -172.1(6) . .
F7 C6 C7 O3 -31.2(14) . .
F8 C6 C7 O3 91.2(12) . .
F9 C6 C7 O3 -153.4(10) . .
F7 C6 C7 C8 149.7(10) . .
F8 C6 C7 C8 -88.0(12) . .
F9 C6 C7 C8 27.4(13) . .
O3 C7 C8 C7 -3.6(7) . 2_655
C6 C7 C8 C7 175.4(9) . 2_655
C12 N3 C9 C10 0.3(12) . .
N3 C9 C10 C11 0.2(12) . .
N3 C9 C10 C13 179.4(8) . .
C12 N4 C11 C10 -0.2(11) . .
Cu1 N4 C11 C10 174.5(6) . .
C9 C10 C11 N4 -0.2(11) . .
C13 C10 C11 N4 -179.4(7) . .
C9 N3 C12 N4 -0.7(14) . .
C11 N4 C12 N3 0.7(13) . .
Cu1 N4 C12 N3 -174.1(7) . .
O4 N1 C13 N2 179.2(7) . .
C16 N1 C13 N2 8.2(9) . .
O4 N1 C13 C10 0.4(13) . .
C16 N1 C13 C10 -170.5(7) . .
O5 N2 C13 N1 -179.2(8) . .
C17 N2 C13 N1 7.5(10) . .
O5 N2 C13 C10 -0.4(14) . .
C17 N2 C13 C10 -173.7(8) . .
C11 C10 C13 N1 -152.9(8) . .
C9 C10 C13 N1 28.0(12) . .
C11 C10 C13 N2 28.6(12) . .
C9 C10 C13 N2 -150.6(8) . .
O4 N1 C16 C15 46.9(10) . .
C13 N1 C16 C15 -141.8(8) . .
O4 N1 C16 C14 -72.3(9) . .
C13 N1 C16 C14 99.0(8) . .
O4 N1 C16 C17 169.1(7) . .
C13 N1 C16 C17 -19.5(9) . .
O5 N2 C17 C19 44.7(12) . .
C13 N2 C17 C19 -141.7(9) . .
O5 N2 C17 C18 -74.4(10) . .
C13 N2 C17 C18 99.2(9) . .
O5 N2 C17 C16 167.6(8) . .
C13 N2 C17 C16 -18.8(9) . .
N1 C16 C17 N2 21.0(8) . .
C15 C16 C17 N2 139.6(7) . .
C14 C16 C17 N2 -90.7(8) . .
N1 C16 C17 C19 139.2(8) . .
C15 C16 C17 C19 -102.2(10) . .
C14 C16 C17 C19 27.5(11) . .
N1 C16 C17 C18 -91.4(8) . .
C15 C16 C17 C18 27.2(10) . .
C14 C16 C17 C18 156.8(8) . .
Cu1 O7 C21 C22 -13.3(13) . .
Cu1 O7 C21 C20 164.9(6) . .
F14 C20 C21 O7 -70.7(10) . .
F13 C20 C21 O7 168.5(8) . .
F15 C20 C21 O7 48.7(10) . .
F14 C20 C21 C22 107.6(10) . .
F13 C20 C21 C22 -13.2(12) . .
F15 C20 C21 C22 -133.0(8) . .
O7 C21 C22 C23 -2.9(15) . .
C20 C21 C22 C23 179.0(9) . .
Cu1 O6 C23 C22 17.8(16) . .
Cu1 O6 C23 C24 -160.9(7) . .
C21 C22 C23 O6 -1.1(18) . .
C21 C22 C23 C24 177.6(9) . .
O6 C23 C24 F11 46.6(16) . .
C22 C23 C24 F11 -132.3(13) . .
O6 C23 C24 F10 -74.2(16) . .
C22 C23 C24 F10 107.0(14) . .
O6 C23 C24 F12 168.8(12) . .
C22 C23 C24 F12 -10.0(16) . .
