#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:53:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179602 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/66/4506678.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_4506678
loop_
_publ_author_name
'Cai, Song-Liang'
'Zheng, Sheng-Run'
'Wen, Zhen-Zhen'
'Fan, Jun'
'Wang, Ning'
'Zhang, Wei-Guang'
_publ_section_title
;
 Two Types of New Three-Dimensional d--f Heterometallic Coordination
 Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and
 Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic
 Properties
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4441
_journal_paper_doi               10.1021/cg300613t
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C24 H18 Co Gd2 N6 O20, 4(H2 O)'
_chemical_formula_sum            'C24 H26 Co Gd2 N6 O24'
_chemical_formula_weight         1155.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.6990(10)
_cell_angle_beta                 109.9520(10)
_cell_angle_gamma                102.9840(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5121(9)
_cell_length_b                   12.7592(11)
_cell_length_c                   14.1244(12)
_cell_measurement_reflns_used    3451
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      2.34
_cell_volume                     1723.5(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0853
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7748
_diffrn_reflns_theta_full        24.60
_diffrn_reflns_theta_max         24.60
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    4.386
_exptl_absorpt_correction_T_max  0.4594
_exptl_absorpt_correction_T_min  0.3731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1118
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         5.993
_refine_diff_density_min         -5.708
_refine_diff_density_rms         0.391
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         5565
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0915
_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)+(0.1111P)²+86.2803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2195
_refine_ls_wR_factor_ref         0.2655
_reflns_number_gt                3930
_reflns_number_total             5565
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300613t_si_001.cif
_cod_data_source_block           Gd-Co
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4506678
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.95827(10) 0.24915(8) 0.46771(7) 0.0258(3) Uani 1 1 d .
Gd2 Gd 0.58839(10) 0.24977(8) 0.52520(7) 0.0267(3) Uani 1 1 d .
Co1 Co 0.7841(3) 0.2746(2) 0.9969(2) 0.0340(7) Uani 1 1 d .
O5 O 0.8656(15) 0.2130(14) 1.1306(10) 0.041(4) Uani 1 1 d .
O4 O 0.7088(16) 0.3378(13) 0.8609(11) 0.043(4) Uani 1 1 d .
O3 O 0.6777(15) 0.3123(12) 0.6976(11) 0.038(3) Uani 1 1 d .
O1W O 0.9196(14) 0.4323(12) 1.0576(10) 0.038(3) Uani 1 1 d .
H1WA H 0.9087 0.4854 1.0859 0.046 Uiso 1 1 d R
H1WB H 1.0043 0.4432 1.0692 0.046 Uiso 1 1 d R
O2W O 0.6468(16) 0.1250(13) 0.9288(13) 0.052(4) Uani 1 1 d .
H2WA H 0.5632 0.0965 0.9157 0.062 Uiso 1 1 d R
H2WB H 0.6857 0.0751 0.9309 0.062 Uiso 1 1 d R
N4 N 0.6442(19) 0.2974(14) 1.0793(13) 0.035(4) Uani 1 1 d .
N2 N 1.0244(16) 0.1675(14) 0.8352(12) 0.030(4) Uani 1 1 d .
H2 H 1.0844 0.1374 0.8244 0.037 Uiso 1 1 calc R
C3 C 0.8569(18) 0.2469(16) 0.8169(13) 0.024(3) Uani 1 1 d U
C4 C 0.7375(19) 0.2981(15) 0.7863(13) 0.025(4) Uani 1 1 d U
C6 C 1.108(2) 0.1566(19) 1.0192(17) 0.040(4) Uani 1 1 d U
C5 C 1.0137(19) 0.1856(17) 0.9248(15) 0.031(4) Uani 1 1 d U
C2 C 0.9233(18) 0.2050(15) 0.7611(13) 0.024(3) Uani 1 1 d U
N1 N 0.9146(17) 0.2351(14) 0.9170(12) 0.033(4) Uani 1 1 d .
C1 C 0.9178(19) 0.1989(15) 0.6562(14) 0.026(4) Uani 1 1 d U
O1 O 1.0272(14) 0.1871(12) 0.6406(11) 0.038(4) Uani 1 1 d .
O2 O 0.8169(12) 0.2173(11) 0.5877(9) 0.029(3) Uani 1 1 d .
O8 O 0.5170(15) 0.3042(13) 1.3528(12) 0.044(4) Uani 1 1 d .
O6 O 0.8780(15) 0.2052(11) 1.2895(10) 0.032(3) Uani 1 1 d .
O7 O 0.7254(14) 0.2736(11) 1.4035(10) 0.033(3) Uani 1 1 d .
C13 C 0.6261(19) 0.3054(16) 1.2350(13) 0.025(3) Uani 1 1 d U
C14 C 0.6272(17) 0.2926(14) 1.3376(13) 0.020(3) Uani 1 1 d U
C12 C 0.7012(19) 0.2746(16) 1.1783(14) 0.026(3) Uani 1 1 d U
C11 C 0.8255(19) 0.2319(16) 1.2030(13) 0.026(4) Uani 1 1 d U
N5 N 0.5198(17) 0.3352(14) 1.1653(14) 0.036(4) Uani 1 1 d .
H5 H 0.4525 0.3532 1.1778 0.043 Uiso 1 1 calc R
C15 C 0.533(2) 0.3332(16) 1.0740(13) 0.028(4) Uani 1 1 d U
C16 C 0.431(2) 0.3545(18) 0.9847(16) 0.038(4) Uani 1 1 d U
C20 C 0.329(2) 0.4125(18) 0.9879(16) 0.038(4) Uani 1 1 d U
H20 H 0.3314 0.4366 1.0514 0.045 Uiso 1 1 calc R
C17 C 0.422(2) 0.325(2) 0.8843(17) 0.044(4) Uani 1 1 d U
H17 H 0.4825 0.2866 0.8737 0.052 Uiso 1 1 calc R
N6 N 0.233(2) 0.4340(14) 0.9083(13) 0.040(4) Uani 1 1 d .
C19 C 0.233(2) 0.406(2) 0.8193(17) 0.046(5) Uani 1 1 d U
H19 H 0.1669 0.4234 0.7634 0.055 Uiso 1 1 calc R
C18 C 0.322(2) 0.354(2) 0.8012(18) 0.047(4) Uani 1 1 d U
H18 H 0.3178 0.3367 0.7354 0.057 Uiso 1 1 calc R
N3 N 1.241(3) 0.0378(19) 1.1029(18) 0.065(6) Uani 1 1 d .
C8 C 1.217(2) 0.1807(19) 1.2017(17) 0.044(4) Uani 1 1 d U
H8 H 1.2379 0.2166 1.2656 0.052 Uiso 1 1 calc R
C10 C 1.163(2) 0.071(2) 1.0204(18) 0.045(5) Uani 1 1 d U
H10 H 1.1452 0.0327 0.9584 0.054 Uiso 1 1 calc R
C9 C 1.263(3) 0.093(2) 1.1908(19) 0.050(5) Uani 1 1 d U
H9 H 1.3143 0.0689 1.2497 0.060 Uiso 1 1 calc R
C7 C 1.134(2) 0.2172(19) 1.1128(15) 0.039(4) Uani 1 1 d U
H7 H 1.0993 0.2776 1.1157 0.047 Uiso 1 1 calc R
O15 O 0.9996(14) 0.4046(11) 0.5840(10) 0.035(3) Uani 1 1 d .
O16 O 1.0320(14) 0.5856(11) 0.6105(10) 0.032(3) Uani 1 1 d .
O14 O 0.4428(15) -0.0913(10) 0.3905(9) 0.031(3) Uani 1 1 d .
O9 O 0.3378(14) 0.1428(11) 0.4637(11) 0.036(3) Uani 1 1 d U
O13 O 0.5529(15) 0.0859(11) 0.4186(10) 0.034(3) Uani 1 1 d .
O4W O 0.8301(14) 0.0575(10) 0.4371(11) 0.034(3) Uani 1 1 d .
H4WA H 0.7506 0.0608 0.4319 0.041 Uiso 1 1 d R
H4WB H 0.8485 0.0089 0.4726 0.041 Uiso 1 1 d R
O3W O 0.6920(17) 0.4415(12) 0.5442(12) 0.047(4) Uani 1 1 d .
H3WA H 0.7701 0.4319 0.5748 0.056 Uiso 1 1 d R
H3WB H 0.7049 0.5003 0.5216 0.056 Uiso 1 1 d R
O11 O 0.4244(16) 0.3506(11) 0.5375(15) 0.053(5) Uani 1 1 d .
O7W O 0.152(2) 0.0245(15) 0.7640(15) 0.069(6) Uani 1 1 d .
H7WA H 0.0827 -0.0189 0.7188 0.083 Uiso 1 1 d R
H7WB H 0.1956 -0.0131 0.8058 0.083 Uiso 1 1 d R
C23 C 0.4962(19) -0.0009(15) 0.4445(14) 0.026(4) Uani 1 1 d U
C24 C 1.010(2) 0.4968(16) 0.5560(14) 0.027(4) Uani 1 1 d .
O5W O 0.390(2) 0.4746(16) 0.2416(17) 0.079(6) Uani 1 1 d .
H5WA H 0.3128 0.4616 0.2519 0.094 Uiso 1 1 d R
H5WB H 0.4245 0.5426 0.2533 0.094 Uiso 1 1 d R
O6W O 0.112(2) 0.4391(19) 0.2548(16) 0.084(7) Uani 1 1 d .
H6WA H 0.0605 0.3747 0.2373 0.100 Uiso 1 1 d R
H6WB H 0.0587 0.4820 0.2371 0.100 Uiso 1 1 d R
C21 C 0.248(2) 0.1841(16) 0.4755(14) 0.030(4) Uani 1 1 d U
C22 C 0.296(2) 0.3071(18) 0.5156(15) 0.036(4) Uani 1 1 d U
O10 O 0.1194(14) 0.1379(11) 0.4592(12) 0.038(4) Uani 1 1 d .
O12 O 0.2015(15) 0.3507(12) 0.5170(13) 0.043(4) Uani 1 1 d .
O8W O 0.420(3) 0.112(3) 0.751(2) 0.127(11) Uani 1 1 d .
H8WA H 0.3378 0.1147 0.7220 0.153 Uiso 1 1 d R
H8WB H 0.4621 0.1428 0.7132 0.153 Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O6 Gd1 O15 137.1(4) 1_554 .
O6 Gd1 O7 74.0(4) 1_554 1_554
O15 Gd1 O7 83.3(4) . 1_554
O6 Gd1 O16 71.2(4) 1_554 2_766
O15 Gd1 O16 67.3(5) . 2_766
O7 Gd1 O16 72.5(5) 1_554 2_766
O6 Gd1 O12 105.7(5) 1_554 1_655
O15 Gd1 O12 70.8(5) . 1_655
O7 Gd1 O12 141.1(5) 1_554 1_655
O16 Gd1 O12 70.9(5) 2_766 1_655
O6 Gd1 O4W 75.2(5) 1_554 .
O15 Gd1 O4W 137.4(5) . .
O7 Gd1 O4W 81.8(5) 1_554 .
O16 Gd1 O4W 142.1(5) 2_766 .
O12 Gd1 O4W 136.6(5) 1_655 .
O6 Gd1 O10 80.9(5) 1_554 1_655
O15 Gd1 O10 129.2(5) . 1_655
O7 Gd1 O10 147.3(5) 1_554 1_655
O16 Gd1 O10 118.6(5) 2_766 1_655
O12 Gd1 O10 65.8(4) 1_655 1_655
O4W Gd1 O10 71.7(4) . 1_655
O6 Gd1 O1 148.6(5) 1_554 .
O15 Gd1 O1 74.2(5) . .
O7 Gd1 O1 114.6(4) 1_554 .
O16 Gd1 O1 139.8(5) 2_766 .
O12 Gd1 O1 86.3(5) 1_655 .
O4W Gd1 O1 76.3(5) . .
O10 Gd1 O1 77.8(5) 1_655 .
O6 Gd1 O2 128.7(4) 1_554 .
O15 Gd1 O2 65.9(5) . .
O7 Gd1 O2 63.5(4) 1_554 .
O16 Gd1 O2 117.7(4) 2_766 .
O12 Gd1 O2 125.4(5) 1_655 .
O4W Gd1 O2 71.7(4) . .
O10 Gd1 O2 122.4(5) 1_655 .
O1 Gd1 O2 51.2(4) . .
O3 Gd2 O14 74.7(5) . 2_656
O3 Gd2 O2 74.8(5) . .
O14 Gd2 O2 76.3(5) 2_656 .
O3 Gd2 O3W 71.9(5) . .
O14 Gd2 O3W 146.2(5) 2_656 .
O2 Gd2 O3W 89.9(5) . .
O3 Gd2 O11 78.2(6) . .
O14 Gd2 O11 108.5(5) 2_656 .
O2 Gd2 O11 150.2(5) . .
O3W Gd2 O11 69.7(5) . .
O3 Gd2 O13 138.1(5) . .
O14 Gd2 O13 67.7(4) 2_656 .
O2 Gd2 O13 78.9(5) . .
O3W Gd2 O13 140.3(5) . .
O11 Gd2 O13 130.6(5) . .
O3 Gd2 O8 144.6(5) . 1_554
O14 Gd2 O8 139.6(5) 2_656 1_554
O2 Gd2 O8 115.2(5) . 1_554
O3W Gd2 O8 74.2(5) . 1_554
O11 Gd2 O8 80.8(6) . 1_554
O13 Gd2 O8 76.6(5) . 1_554
O3 Gd2 O9 113.5(5) . .
O14 Gd2 O9 67.9(5) 2_656 .
O2 Gd2 O9 138.5(5) . .
O3W Gd2 O9 131.6(5) . .
O11 Gd2 O9 65.1(4) . .
O13 Gd2 O9 68.7(4) . .
O8 Gd2 O9 82.3(5) 1_554 .
O3 Gd2 O7 126.1(5) . 1_554
O14 Gd2 O7 122.9(4) 2_656 1_554
O2 Gd2 O7 63.8(4) . 1_554
O3W Gd2 O7 75.0(5) . 1_554
O11 Gd2 O7 126.7(5) . 1_554
O13 Gd2 O7 65.9(4) . 1_554
O8 Gd2 O7 51.4(5) 1_554 1_554
O9 Gd2 O7 120.4(5) . 1_554
O3 Gd2 C14 142.3(5) . 1_554
O14 Gd2 C14 134.5(5) 2_656 1_554
O2 Gd2 C14 88.7(4) . 1_554
O3W Gd2 C14 74.5(5) . 1_554
O11 Gd2 C14 105.5(5) . 1_554
O13 Gd2 C14 67.4(5) . 1_554
O8 Gd2 C14 26.6(5) 1_554 1_554
O9 Gd2 C14 101.4(5) . 1_554
O7 Gd2 C14 24.9(4) 1_554 1_554
O3 Gd2 H3WA 64.9 . .
O14 Gd2 H3WA 133.2 2_656 .
O2 Gd2 H3WA 71.3 . .
O3W Gd2 H3WA 18.9 . .
O11 Gd2 H3WA 86.0 . .
O13 Gd2 H3WA 134.2 . .
O8 Gd2 H3WA 85.6 1_554 .
O9 Gd2 H3WA 150.1 . .
O7 Gd2 H3WA 70.0 1_554 .
C14 Gd2 H3WA 77.8 1_554 .
O5 Co1 O4 177.9(6) . .
O5 Co1 O2W 92.0(7) . .
O4 Co1 O2W 88.9(7) . .
O5 Co1 O1W 91.8(6) . .
O4 Co1 O1W 87.3(6) . .
O2W Co1 O1W 176.2(6) . .
O5 Co1 N1 100.0(6) . .
O4 Co1 N1 78.1(6) . .
O2W Co1 N1 86.1(7) . .
O1W Co1 N1 93.2(6) . .
O5 Co1 N4 77.2(6) . .
O4 Co1 N4 104.8(6) . .
O2W Co1 N4 89.1(7) . .
O1W Co1 N4 91.8(6) . .
N1 Co1 N4 174.3(6) . .
C11 O5 Co1 118.6(13) . .
C4 O4 Co1 114.9(12) . .
C4 O3 Gd2 149.5(13) . .
Co1 O1W H1WA 131.7 . .
Co1 O1W H1WB 120.2 . .
H1WA O1W H1WB 106.5 . .
Co1 O2W H2WA 136.3 . .
Co1 O2W H2WB 113.8 . .
H2WA O2W H2WB 106.5 . .
C15 N4 C12 106.4(16) . .
C15 N4 Co1 144.6(13) . .
C12 N4 Co1 108.7(13) . .
C5 N2 C2 109.6(15) . .
C5 N2 H2 125.2 . .
C2 N2 H2 125.2 . .
N1 C3 C2 110.8(16) . .
N1 C3 C4 117.5(16) . .
C2 C3 C4 131.7(16) . .
O3 C4 O4 121.5(18) . .
O3 C4 C3 122.7(17) . .
O4 C4 C3 115.4(15) . .
C10 C6 C7 119(2) . .
C10 C6 C5 122(2) . .
C7 C6 C5 119(2) . .
N1 C5 N2 110.8(16) . .
N1 C5 C6 126.6(19) . .
N2 C5 C6 122.6(17) . .
C3 C2 N2 102.5(15) . .
C3 C2 C1 137.3(17) . .
N2 C2 C1 120.1(16) . .
C5 N1 C3 106.4(17) . .
C5 N1 Co1 142.5(14) . .
C3 N1 Co1 109.4(12) . .
O2 C1 O1 122.0(18) . .
O2 C1 C2 120.2(17) . .
O1 C1 C2 117.3(16) . .
C1 O1 Gd1 94.5(11) . .
C1 O2 Gd2 152.2(13) . .
C1 O2 Gd1 91.4(11) . .
Gd2 O2 Gd1 116.1(5) . .
C14 O8 Gd2 94.5(10) . 1_556
C11 O6 Gd1 148.5(13) . 1_556
C14 O7 Gd1 152.5(12) . 1_556
C14 O7 Gd2 90.9(11) . 1_556
Gd1 O7 Gd2 116.6(5) 1_556 1_556
N5 C13 C12 103.8(16) . .
N5 C13 C14 120.7(16) . .
C12 C13 C14 134.3(16) . .
O7 C14 O8 122.7(17) . .
O7 C14 C13 122.1(16) . .
O8 C14 C13 115.1(14) . .
O7 C14 Gd2 64.2(10) . 1_556
O8 C14 Gd2 59.0(9) . 1_556
C13 C14 Gd2 171.7(12) . 1_556
N4 C12 C13 108.9(16) . .
N4 C12 C11 116.8(16) . .
C13 C12 C11 134.1(17) . .
O6 C11 O5 122.7(18) . .
O6 C11 C12 120.0(16) . .
O5 C11 C12 116.9(16) . .
C15 N5 C13 111.3(16) . .
C15 N5 H5 124.3 . .
C13 N5 H5 124.3 . .
N4 C15 N5 109.3(16) . .
N4 C15 C16 126.7(17) . .
N5 C15 C16 123.7(18) . .
C17 C16 C15 124(2) . .
C17 C16 C20 112.9(19) . .
C15 C16 C20 122.7(19) . .
N6 C20 C16 125(2) . .
N6 C20 H20 117.3 . .
C16 C20 H20 117.3 . .
C18 C17 C16 120(2) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C19 N6 C20 118(2) . .
N6 C19 C18 125(2) . .
N6 C19 H19 117.4 . .
C18 C19 H19 117.4 . .
C19 C18 C17 118(2) . .
C19 C18 H18 120.9 . .
C17 C18 H18 120.9 . .
C10 N3 C9 116(2) . .
C9 C8 C7 118(2) . .
C9 C8 H8 121.0 . .
C7 C8 H8 121.0 . .
N3 C10 C6 125(2) . .
N3 C10 H10 117.5 . .
C6 C10 H10 117.5 . .
C8 C9 N3 126(2) . .
C8 C9 H9 117.2 . .
N3 C9 H9 117.2 . .
C8 C7 C6 116(2) . .
C8 C7 H7 121.8 . .
C6 C7 H7 121.8 . .
C24 O15 Gd1 120.9(12) . .
C24 O16 Gd1 118.6(11) . 2_766
C23 O14 Gd2 117.8(11) . 2_656
C21 O9 Gd2 119.7(13) . .
C23 O13 Gd2 115.8(12) . .
Gd1 O4W H4WA 102.8 . .
Gd1 O4W H4WB 127.9 . .
H4WA O4W H4WB 106.9 . .
Gd2 O3W H3WA 90.6 . .
Gd2 O3W H3WB 152.4 . .
H3WA O3W H3WB 106.6 . .
C22 O11 Gd2 122.5(14) . .
H7WA O7W H7WB 107.7 . .
O14 C23 O13 126.3(17) . .
O14 C23 C23 116.5(18) . 2_656
O13 C23 C23 117(2) . 2_656
O15 C24 O16 126.8(17) . .
O15 C24 C24 116(2) . 2_766
O16 C24 C24 117(2) . 2_766
H5WA O5W H5WB 107.7 . .
H6WA O6W H6WB 107.7 . .
O9 C21 O10 127.9(19) . .
O9 C21 C22 116.4(18) . .
O10 C21 C22 115.8(18) . .
O12 C22 O11 128(2) . .
O12 C22 C21 115.7(18) . .
O11 C22 C21 115.7(19) . .
C21 O10 Gd1 119.6(12) . 1_455
C22 O12 Gd1 122.4(13) . 1_455
H8WA O8W H8WB 103.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O6 2.370(13) 1_554
Gd1 O15 2.398(14) .
Gd1 O7 2.399(14) 1_554
Gd1 O16 2.408(13) 2_766
Gd1 O12 2.438(15) 1_655
Gd1 O4W 2.458(13) .
Gd1 O10 2.472(13) 1_655
Gd1 O1 2.506(15) .
Gd1 O2 2.595(13) .
Gd2 O3 2.331(15) .
Gd2 O14 2.393(12) 2_656
Gd2 O2 2.397(12) .
Gd2 O3W 2.410(15) .
Gd2 O11 2.418(16) .
Gd2 O13 2.421(14) .
Gd2 O8 2.462(15) 1_554
Gd2 O9 2.511(14) .
Gd2 O7 2.578(13) 1_554
Gd2 C14 2.865(18) 1_554
Gd2 H3WA 2.5562 .
Co1 O5 2.050(14) .
Co1 O4 2.077(15) .
Co1 O2W 2.087(17) .
Co1 O1W 2.142(15) .
Co1 N1 2.178(18) .
Co1 N4 2.222(17) .
O5 C11 1.27(2) .
O4 C4 1.31(2) .
O3 C4 1.23(2) .
O1W H1WA 0.8269 .
O1W H1WB 0.8257 .
O2W H2WA 0.8252 .
O2W H2WB 0.8276 .
N4 C15 1.33(3) .
N4 C12 1.39(2) .
N2 C5 1.33(2) .
N2 C2 1.40(2) .
N2 H2 0.8600 .
C3 N1 1.36(2) .
C3 C2 1.38(3) .
C3 C4 1.49(3) .
C6 C10 1.34(3) .
C6 C7 1.42(3) .
C6 C5 1.48(3) .
C5 N1 1.31(2) .
C2 C1 1.46(3) .
C1 O2 1.24(2) .
C1 O1 1.28(2) .
O8 C14 1.29(2) .
O8 Gd2 2.462(15) 1_556
O6 C11 1.25(2) .
O6 Gd1 2.370(13) 1_556
O7 C14 1.21(2) .
O7 Gd1 2.399(14) 1_556
O7 Gd2 2.578(12) 1_556
C13 N5 1.35(2) .
C13 C12 1.40(3) .
C13 C14 1.46(2) .
C14 Gd2 2.865(18) 1_556
C12 C11 1.46(3) .
N5 C15 1.34(2) .
N5 H5 0.8600 .
C15 C16 1.43(3) .
C16 C17 1.42(3) .
C16 C20 1.45(3) .
C20 N6 1.31(3) .
C20 H20 0.9300 .
C17 C18 1.40(3) .
C17 H17 0.9300 .
N6 C19 1.30(3) .
C19 C18 1.35(3) .
C19 H19 0.9300 .
C18 H18 0.9300 .
N3 C10 1.32(3) .
N3 C9 1.33(3) .
C8 C9 1.34(3) .
C8 C7 1.42(3) .
C8 H8 0.9300 .
C10 H10 0.9300 .
C9 H9 0.9300 .
C7 H7 0.9300 .
O15 C24 1.25(2) .
O16 C24 1.28(2) .
O16 Gd1 2.408(13) 2_766
O14 C23 1.26(2) .
O14 Gd2 2.393(12) 2_656
O9 C21 1.23(2) .
O13 C23 1.26(2) .
O4W H4WA 0.8245 .
O4W H4WB 0.8243 .
O3W H3WA 0.8262 .
O3W H3WB 0.8251 .
O11 C22 1.26(3) .
O7W H7WA 0.8499 .
O7W H7WB 0.8501 .
C23 C23 1.54(4) 2_656
C24 C24 1.53(4) 2_766
O5W H5WA 0.8501 .
O5W H5WB 0.8500 .
O6W H6WA 0.8500 .
O6W H6WB 0.8501 .
C21 O10 1.29(2) .
C21 C22 1.56(3) .
C22 O12 1.25(3) .
O10 Gd1 2.472(13) 1_455
O12 Gd1 2.438(15) 1_455
O8W H8WA 0.8342 .
O8W H8WB 0.8479 .
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
O2W Co1 O5 C11 -101.5(16) . .
O1W Co1 O5 C11 78.6(16) . .
N1 Co1 O5 C11 172.1(16) . .
N4 Co1 O5 C11 -12.9(15) . .
O2W Co1 O4 C4 -66.4(14) . .
O1W Co1 O4 C4 113.7(14) . .
N1 Co1 O4 C4 19.9(14) . .
N4 Co1 O4 C4 -155.1(14) . .
O14 Gd2 O3 C4 33(3) 2_656 .
O2 Gd2 O3 C4 -47(3) . .
O3W Gd2 O3 C4 -142(3) . .
O11 Gd2 O3 C4 146(3) . .
O13 Gd2 O3 C4 6(3) . .
O8 Gd2 O3 C4 -159(2) 1_554 .
O9 Gd2 O3 C4 90(3) . .
O7 Gd2 O3 C4 -87(3) 1_554 .
C14 Gd2 O3 C4 -114(3) 1_554 .
O5 Co1 N4 C15 -179(3) . .
O4 Co1 N4 C15 2(3) . .
O2W Co1 N4 C15 -87(3) . .
O1W Co1 N4 C15 89(3) . .
O5 Co1 N4 C12 9.3(13) . .
O4 Co1 N4 C12 -169.8(13) . .
O2W Co1 N4 C12 101.6(14) . .
O1W Co1 N4 C12 -82.1(13) . .
Gd2 O3 C4 O4 -147(2) . .
Gd2 O3 C4 C3 40(4) . .
Co1 O4 C4 O3 165.9(14) . .
Co1 O4 C4 C3 -21(2) . .
N1 C3 C4 O3 -179.8(18) . .
C2 C3 C4 O3 -1(3) . .
N1 C3 C4 O4 7(3) . .
C2 C3 C4 O4 -174(2) . .
C2 N2 C5 N1 -2(2) . .
C2 N2 C5 C6 -178.9(19) . .
C10 C6 C5 N1 151(2) . .
C7 C6 C5 N1 -25(3) . .
C10 C6 C5 N2 -32(3) . .
C7 C6 C5 N2 152(2) . .
N1 C3 C2 N2 0(2) . .
C4 C3 C2 N2 -178.8(19) . .
N1 C3 C2 C1 -175(2) . .
C4 C3 C2 C1 6(4) . .
C5 N2 C2 C3 1(2) . .
C5 N2 C2 C1 177.2(18) . .
N2 C5 N1 C3 2(2) . .
C6 C5 N1 C3 179(2) . .
N2 C5 N1 Co1 164.0(17) . .
C6 C5 N1 Co1 -19(4) . .
C2 C3 N1 C5 -1(2) . .
C4 C3 N1 C5 178.1(17) . .
C2 C3 N1 Co1 -169.7(13) . .
C4 C3 N1 Co1 9(2) . .
O5 Co1 N1 C5 4(3) . .
O4 Co1 N1 C5 -177(3) . .
O2W Co1 N1 C5 -87(2) . .
O1W Co1 N1 C5 96(2) . .
O5 Co1 N1 C3 166.1(13) . .
O4 Co1 N1 C3 -14.9(13) . .
O2W Co1 N1 C3 74.7(13) . .
O1W Co1 N1 C3 -101.5(13) . .
C3 C2 C1 O2 -16(4) . .
N2 C2 C1 O2 169.7(17) . .
C3 C2 C1 O1 156(2) . .
N2 C2 C1 O1 -19(3) . .
O2 C1 O1 Gd1 10(2) . .
C2 C1 O1 Gd1 -161.5(15) . .
O6 Gd1 O1 C1 -108.0(13) 1_554 .
O15 Gd1 O1 C1 66.3(11) . .
O7 Gd1 O1 C1 -8.4(12) 1_554 .
O16 Gd1 O1 C1 83.2(13) 2_766 .
O12 Gd1 O1 C1 137.5(11) 1_655 .
O4W Gd1 O1 C1 -82.6(11) . .
O10 Gd1 O1 C1 -156.5(12) 1_655 .
O2 Gd1 O1 C1 -5.2(10) . .
O1 C1 O2 Gd2 179.5(17) . .
C2 C1 O2 Gd2 -9(4) . .
O1 C1 O2 Gd1 -9.7(19) . .
C2 C1 O2 Gd1 161.6(16) . .
O3 Gd2 O2 C1 28(3) . .
O14 Gd2 O2 C1 -50(3) 2_656 .
O3W Gd2 O2 C1 99(3) . .
O11 Gd2 O2 C1 54(3) . .
O13 Gd2 O2 C1 -119(3) . .
O8 Gd2 O2 C1 171(3) 1_554 .
O9 Gd2 O2 C1 -81(3) . .
O7 Gd2 O2 C1 172(3) 1_554 .
C14 Gd2 O2 C1 173(3) 1_554 .
O3 Gd2 O2 Gd1 -142.1(7) . .
O14 Gd2 O2 Gd1 140.4(6) 2_656 .
O3W Gd2 O2 Gd1 -70.8(6) . .
O11 Gd2 O2 Gd1 -116.2(9) . .
O13 Gd2 O2 Gd1 70.9(6) . .
O8 Gd2 O2 Gd1 1.6(8) 1_554 .
O9 Gd2 O2 Gd1 109.5(7) . .
O7 Gd2 O2 Gd1 2.4(5) 1_554 .
C14 Gd2 O2 Gd1 3.7(6) 1_554 .
O6 Gd1 O2 C1 144.7(11) 1_554 .
O15 Gd1 O2 C1 -83.2(12) . .
O7 Gd1 O2 C1 -177.9(13) 1_554 .
O16 Gd1 O2 C1 -127.8(11) 2_766 .
O12 Gd1 O2 C1 -42.5(13) 1_655 .
O4W Gd1 O2 C1 92.3(12) . .
O10 Gd1 O2 C1 39.2(13) 1_655 .
O1 Gd1 O2 C1 5.4(11) . .
O6 Gd1 O2 Gd2 -40.0(8) 1_554 .
O15 Gd1 O2 Gd2 92.0(6) . .
O7 Gd1 O2 Gd2 -2.6(5) 1_554 .
O16 Gd1 O2 Gd2 47.4(7) 2_766 .
O12 Gd1 O2 Gd2 132.8(6) 1_655 .
O4W Gd1 O2 Gd2 -92.5(6) . .
O10 Gd1 O2 Gd2 -145.5(6) 1_655 .
O1 Gd1 O2 Gd2 -179.4(9) . .
Gd1 O7 C14 O8 -173.6(18) 1_556 .
Gd2 O7 C14 O8 6.9(19) 1_556 .
Gd1 O7 C14 C13 6(4) 1_556 .
Gd2 O7 C14 C13 -173.8(16) 1_556 .
Gd1 O7 C14 Gd2 179(3) 1_556 1_556
Gd2 O8 C14 O7 -7(2) 1_556 .
Gd2 O8 C14 C13 173.4(14) 1_556 .
N5 C13 C14 O7 -174.6(18) . .
C12 C13 C14 O7 20(3) . .
N5 C13 C14 O8 5(3) . .
C12 C13 C14 O8 -161(2) . .
C15 N4 C12 C13 -4(2) . .
Co1 N4 C12 C13 170.6(13) . .
C15 N4 C12 C11 179.1(17) . .
Co1 N4 C12 C11 -6(2) . .
N5 C13 C12 N4 6(2) . .
C14 C13 C12 N4 173(2) . .
N5 C13 C12 C11 -179(2) . .
C14 C13 C12 C11 -11(4) . .
Gd1 O6 C11 O5 140(2) 1_556 .
Gd1 O6 C11 C12 -48(3) 1_556 .
Co1 O5 C11 O6 -173.9(15) . .
Co1 O5 C11 C12 14(2) . .
N4 C12 C11 O6 -176.9(18) . .
C13 C12 C11 O6 8(4) . .
N4 C12 C11 O5 -4(3) . .
C13 C12 C11 O5 -180(2) . .
C12 C13 N5 C15 -5(2) . .
C14 C13 N5 C15 -174.6(18) . .
C12 N4 C15 N5 1(2) . .
Co1 N4 C15 N5 -170.6(19) . .
C12 N4 C15 C16 -172(2) . .
Co1 N4 C15 C16 16(4) . .
C13 N5 C15 N4 3(2) . .
C13 N5 C15 C16 176(2) . .
N4 C15 C16 C17 10(4) . .
N5 C15 C16 C17 -162(2) . .
N4 C15 C16 C20 -168(2) . .
N5 C15 C16 C20 20(3) . .
C17 C16 C20 N6 2(3) . .
C15 C16 C20 N6 -180(2) . .
C15 C16 C17 C18 -177(2) . .
C20 C16 C17 C18 1(3) . .
C16 C20 N6 C19 -4(3) . .
C20 N6 C19 C18 2(4) . .
N6 C19 C18 C17 1(4) . .
C16 C17 C18 C19 -2(4) . .
C9 N3 C10 C6 1(4) . .
C7 C6 C10 N3 0(4) . .
C5 C6 C10 N3 -176(2) . .
C7 C8 C9 N3 2(4) . .
C10 N3 C9 C8 -3(4) . .
C9 C8 C7 C6 0(3) . .
C10 C6 C7 C8 -1(3) . .
C5 C6 C7 C8 175(2) . .
O6 Gd1 O15 C24 -17.1(17) 1_554 .
O7 Gd1 O15 C24 -74.8(14) 1_554 .
O16 Gd1 O15 C24 -1.0(13) 2_766 .
O12 Gd1 O15 C24 75.6(14) 1_655 .
O4W Gd1 O15 C24 -145.0(13) . .
O10 Gd1 O15 C24 108.2(14) 1_655 .
O1 Gd1 O15 C24 167.3(15) . .
O2 Gd1 O15 C24 -138.7(15) . .
O3 Gd2 O9 C21 56.8(15) . .
O14 Gd2 O9 C21 117.7(15) 2_656 .
O2 Gd2 O9 C21 150.3(13) . .
O3W Gd2 O9 C21 -29.3(17) . .
O11 Gd2 O9 C21 -6.7(14) . .
O13 Gd2 O9 C21 -168.6(16) . .
O8 Gd2 O9 C21 -90.1(15) 1_554 .
O7 Gd2 O9 C21 -126.1(14) 1_554 .
C14 Gd2 O9 C21 -108.6(14) 1_554 .
O3 Gd2 O13 C23 47.8(16) . .
O14 Gd2 O13 C23 20.0(13) 2_656 .
O2 Gd2 O13 C23 99.6(13) . .
O3W Gd2 O13 C23 175.8(12) . .
O11 Gd2 O13 C23 -75.7(15) . .
O8 Gd2 O13 C23 -140.8(14) 1_554 .
O9 Gd2 O13 C23 -54.0(13) . .
O7 Gd2 O13 C23 165.7(14) 1_554 .
C14 Gd2 O13 C23 -167.1(14) 1_554 .
O3 Gd2 O11 C22 -118.6(18) . .
O14 Gd2 O11 C22 -49.3(19) 2_656 .
O2 Gd2 O11 C22 -144.1(15) . .
O3W Gd2 O11 C22 166.6(19) . .
O13 Gd2 O11 C22 27(2) . .
O8 Gd2 O11 C22 90.1(18) 1_554 .
O9 Gd2 O11 C22 4.4(16) . .
O7 Gd2 O11 C22 114.9(17) 1_554 .
C14 Gd2 O11 C22 100.1(17) 1_554 .
Gd2 O14 C23 O13 160.5(15) 2_656 .
Gd2 O14 C23 C23 -14(3) 2_656 2_656
Gd2 O13 C23 O14 164.7(16) . .
Gd2 O13 C23 C23 -21(3) . 2_656
Gd1 O15 C24 O16 -179.7(15) . .
Gd1 O15 C24 C24 1(3) . 2_766
Gd1 O16 C24 O15 -179.0(15) 2_766 .
Gd1 O16 C24 C24 0(3) 2_766 2_766
Gd2 O9 C21 O10 -171.6(15) . .
Gd2 O9 C21 C22 8(2) . .
Gd2 O11 C22 O12 -178.5(17) . .
Gd2 O11 C22 C21 -2(3) . .
O9 C21 C22 O12 172.7(18) . .
O10 C21 C22 O12 -8(3) . .
O9 C21 C22 O11 -4(3) . .
O10 C21 C22 O11 175.8(18) . .
O9 C21 O10 Gd1 -171.5(16) . 1_455
C22 C21 O10 Gd1 9(2) . 1_455
O11 C22 O12 Gd1 178.7(18) . 1_455
C21 C22 O12 Gd1 3(2) . 1_455
