#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:42:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179932 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/27/7022779.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_7022779
loop_
_publ_author_name
'Feng, Xun'
'Feng, Yu-Quan'
'Liu, Lang'
'Wang, Li-Ya'
'Song, Hong-Liang'
'Ng, Seik-Weng'
_publ_section_title
;
 A series of Zn-4f heterometallic coordination polymers and a zinc complex
 containing a flexible mixed donor dicarboxylate ligand.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7741
_journal_page_last               7754
_journal_paper_doi               10.1039/c3dt33002h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C26 H16 Cl Gd N2 O11 Zn'
_chemical_formula_weight         790.48
_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                107.0080(10)
_cell_angle_beta                 104.3200(10)
_cell_angle_gamma                92.9090(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3462(7)
_cell_length_b                   12.9000(12)
_cell_length_c                   13.4127(12)
_cell_measurement_reflns_used    7327
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.62
_cell_volume                     1326.2(2)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_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  0.0158
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9631
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.54
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.551
_exptl_absorpt_correction_T_max  0.6180
_exptl_absorpt_correction_T_min  0.4706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.980
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             770
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4797
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0198
_refine_ls_R_factor_gt           0.0179
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0233P)²+0.8281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0434
_refine_ls_wR_factor_ref         0.0447
_reflns_number_gt                4538
_reflns_number_total             4797
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33002h.txt
_cod_data_source_block           Gd
_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               7022779
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 0.752844(13) 0.511702(9) 0.509075(9) 0.01629(5) Uani 1 1 d .
Zn1 Zn 0.67433(4) 0.77796(2) 0.33649(2) 0.02474(8) Uani 1 1 d .
Cl1 Cl 0.76994(9) 0.86942(6) 0.24177(6) 0.03737(17) Uani 1 1 d .
O1 O 0.2268(2) 0.38186(15) 0.29828(14) 0.0262(4) Uani 1 1 d .
O2 O 0.4673(2) 0.48299(14) 0.39304(13) 0.0212(4) Uani 1 1 d .
O3 O 0.7793(2) 0.54236(14) 0.34456(13) 0.0224(4) Uani 1 1 d .
O4 O 0.5968(2) 0.62298(14) 0.24955(15) 0.0293(4) Uani 1 1 d .
O5 O 0.7396(3) 0.45368(17) 0.08217(16) 0.0365(5) Uani 1 1 d .
O6 O 1.2872(2) 0.67932(14) 0.61270(15) 0.0262(4) Uani 1 1 d .
O7 O 1.0243(2) 0.60619(13) 0.55387(13) 0.0201(4) Uani 1 1 d .
O8 O 0.6977(2) 0.69543(14) 0.52254(14) 0.0250(4) Uani 1 1 d .
O9 O 0.8445(2) 0.81414(15) 0.47745(15) 0.0293(4) Uani 1 1 d .
O10 O 0.7311(2) 0.93338(16) 0.70480(18) 0.0355(5) Uani 1 1 d .
O11 O 0.8731(2) 0.41260(16) 0.63021(15) 0.0296(4) Uani 1 1 d .
H1W H 0.9796 0.4173 0.6408 0.044 Uiso 1 1 d R
H2W H 0.8640 0.4206 0.6956 0.044 Uiso 1 1 d R
N1 N 0.8568(3) 0.3972(2) -0.16977(19) 0.0370(6) Uani 1 1 d .
N2 N 0.5301(3) 1.15114(19) 0.6333(2) 0.0304(5) Uani 1 1 d .
C1 C 0.4399(3) 0.3701(2) 0.20820(19) 0.0203(5) Uani 1 1 d .
C2 C 0.5672(3) 0.4303(2) 0.19056(19) 0.0194(5) Uani 1 1 d .
C3 C 0.6153(3) 0.3880(2) 0.0950(2) 0.0243(6) Uani 1 1 d .
C4 C 0.5380(4) 0.2889(2) 0.0195(2) 0.0324(6) Uani 1 1 d .
H4 H 0.5684 0.2627 -0.0446 0.039 Uiso 1 1 calc R
C5 C 0.4143(3) 0.2289(2) 0.0404(2) 0.0320(6) Uani 1 1 d .
H5 H 0.3652 0.1608 -0.0088 0.038 Uiso 1 1 calc R
C6 C 0.3638(3) 0.2688(2) 0.1327(2) 0.0274(6) Uani 1 1 d .
H6 H 0.2793 0.2286 0.1451 0.033 Uiso 1 1 calc R
C7 C 0.3737(3) 0.4127(2) 0.30438(19) 0.0196(5) Uani 1 1 d .
C8 C 0.6545(3) 0.5408(2) 0.26813(19) 0.0192(5) Uani 1 1 d .
C9 C 0.7856(3) 0.4369(2) -0.0898(2) 0.0325(6) Uani 1 1 d .
H9 H 0.7122 0.4879 -0.0966 0.039 Uiso 1 1 calc R
C10 C 0.8167(3) 0.4055(2) 0.0018(2) 0.0293(6) Uani 1 1 d .
C11 C 0.9263(4) 0.3314(3) 0.0156(3) 0.0422(8) Uani 1 1 d .
H11 H 0.9509 0.3109 0.0781 0.051 Uiso 1 1 calc R
C12 C 0.9983(4) 0.2889(3) -0.0676(3) 0.0460(8) Uani 1 1 d .
H12 H 1.0708 0.2370 -0.0631 0.055 Uiso 1 1 calc R
C13 C 0.9617(4) 0.3241(3) -0.1570(2) 0.0397(7) Uani 1 1 d .
H13 H 1.0127 0.2956 -0.2116 0.048 Uiso 1 1 calc R
C14 C 1.0902(3) 0.7820(2) 0.6887(2) 0.0215(5) Uani 1 1 d .
C15 C 0.9332(3) 0.8160(2) 0.6576(2) 0.0209(5) Uani 1 1 d .
C16 C 0.8901(3) 0.9019(2) 0.7321(2) 0.0265(6) Uani 1 1 d .
C17 C 0.9938(4) 0.9510(2) 0.8355(2) 0.0348(7) Uani 1 1 d .
H17 H 0.9604 1.0067 0.8849 0.042 Uiso 1 1 calc R
C18 C 1.1486(4) 0.9164(2) 0.8650(2) 0.0375(7) Uani 1 1 d .
H18 H 1.2193 0.9487 0.9345 0.045 Uiso 1 1 calc R
C19 C 1.1972(3) 0.8337(2) 0.7906(2) 0.0300(6) Uani 1 1 d .
H19 H 1.3026 0.8128 0.8093 0.036 Uiso 1 1 calc R
C20 C 1.1389(3) 0.6851(2) 0.61425(19) 0.0193(5) Uani 1 1 d .
C21 C 0.8159(3) 0.7696(2) 0.5443(2) 0.0215(5) Uani 1 1 d .
C22 C 0.5713(3) 1.0692(2) 0.6739(2) 0.0311(6) Uani 1 1 d .
H22 H 0.5036 1.0456 0.7107 0.037 Uiso 1 1 calc R
C23 C 0.7109(3) 1.0191(2) 0.6624(2) 0.0271(6) Uani 1 1 d .
C24 C 0.8141(3) 1.0540(2) 0.6088(2) 0.0322(6) Uani 1 1 d .
H24 H 0.9101 1.0226 0.6017 0.039 Uiso 1 1 calc R
C25 C 0.7695(4) 1.1371(3) 0.5665(3) 0.0396(7) Uani 1 1 d .
H25 H 0.8352 1.1619 0.5293 0.047 Uiso 1 1 calc R
C26 C 0.6274(4) 1.1833(2) 0.5793(3) 0.0370(7) Uani 1 1 d .
H26 H 0.5983 1.2386 0.5495 0.044 Uiso 1 1 calc 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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O7 Gd1 O8 77.84(6) . .
O7 Gd1 O3 74.57(6) . .
O8 Gd1 O3 73.26(6) . .
O7 Gd1 O11 86.36(6) . .
O8 Gd1 O11 137.47(6) . .
O3 Gd1 O11 139.58(6) . .
O7 Gd1 O2 145.20(6) . .
O8 Gd1 O2 77.77(6) . .
O3 Gd1 O2 74.87(5) . .
O11 Gd1 O2 128.16(6) . .
O7 Gd1 O6 114.78(6) . 2_766
O8 Gd1 O6 145.56(6) . 2_766
O3 Gd1 O6 79.44(6) . 2_766
O11 Gd1 O6 76.81(6) . 2_766
O2 Gd1 O6 75.11(6) . 2_766
O7 Gd1 O2 134.22(6) . 2_666
O8 Gd1 O2 82.49(6) . 2_666
O3 Gd1 O2 137.12(5) . 2_666
O11 Gd1 O2 80.95(6) . 2_666
O2 Gd1 O2 65.62(6) . 2_666
O6 Gd1 O2 104.78(6) 2_766 2_666
O7 Gd1 O1 82.18(6) . 2_666
O8 Gd1 O1 69.80(6) . 2_666
O3 Gd1 O1 139.61(6) . 2_666
O11 Gd1 O1 69.07(6) . 2_666
O2 Gd1 O1 111.78(5) . 2_666
O6 Gd1 O1 140.86(6) 2_766 2_666
O2 Gd1 O1 52.19(5) 2_666 2_666
O7 Gd1 O7 64.27(6) . 2_766
O8 Gd1 O7 134.48(6) . 2_766
O3 Gd1 O7 73.09(5) . 2_766
O11 Gd1 O7 66.52(6) . 2_766
O2 Gd1 O7 120.86(5) . 2_766
O6 Gd1 O7 51.10(5) 2_766 2_766
O2 Gd1 O7 142.36(5) 2_666 2_766
O1 Gd1 O7 124.88(5) 2_666 2_766
O7 Gd1 C7 107.55(6) . 2_666
O8 Gd1 C7 73.69(6) . 2_666
O3 Gd1 C7 145.53(6) . 2_666
O11 Gd1 C7 74.00(6) . 2_666
O2 Gd1 C7 88.84(6) . 2_666
O6 Gd1 C7 126.02(6) 2_766 2_666
O2 Gd1 C7 26.71(6) 2_666 2_666
O1 Gd1 C7 25.50(6) 2_666 2_666
O7 Gd1 C7 139.91(6) 2_766 2_666
O7 Gd1 C20 89.80(6) . 2_766
O8 Gd1 C20 146.59(6) . 2_766
O3 Gd1 C20 73.56(6) . 2_766
O11 Gd1 C20 71.03(6) . 2_766
O2 Gd1 C20 97.17(6) . 2_766
O6 Gd1 C20 25.11(6) 2_766 2_766
O2 Gd1 C20 125.93(6) 2_666 2_766
O1 Gd1 C20 139.68(6) 2_666 2_766
O7 Gd1 C20 26.05(6) 2_766 2_766
C7 Gd1 C20 139.65(7) 2_666 2_766
O9 Zn1 O4 119.48(7) . .
O9 Zn1 N2 106.69(9) . 2_676
O4 Zn1 N2 107.51(9) . 2_676
O9 Zn1 Cl1 106.28(6) . .
O4 Zn1 Cl1 111.22(6) . .
N2 Zn1 Cl1 104.62(7) 2_676 .
C7 O1 Gd1 94.47(14) . 2_666
C7 O2 Gd1 138.65(15) . .
C7 O2 Gd1 93.24(14) . 2_666
Gd1 O2 Gd1 114.38(6) . 2_666
C8 O3 Gd1 122.57(15) . .
C8 O4 Zn1 127.17(16) . .
C3 O5 C10 116.8(2) . .
C20 O6 Gd1 97.51(15) . 2_766
C20 O7 Gd1 151.09(15) . .
C20 O7 Gd1 90.63(13) . 2_766
Gd1 O7 Gd1 115.73(6) . 2_766
C21 O8 Gd1 120.01(15) . .
C21 O9 Zn1 116.99(17) . .
C23 O10 C16 119.2(2) . .
Gd1 O11 H1W 110.6 . .
Gd1 O11 H2W 127.9 . .
H1W O11 H2W 101.6 . .
C13 N1 C9 116.9(2) . .
C26 N2 C22 118.3(2) . .
C26 N2 Zn1 124.29(19) . 2_676
C22 N2 Zn1 117.35(19) . 2_676
C2 C1 C6 120.4(2) . .
C2 C1 C7 121.9(2) . .
C6 C1 C7 117.6(2) . .
C1 C2 C3 118.6(2) . .
C1 C2 C8 123.4(2) . .
C3 C2 C8 118.0(2) . .
O5 C3 C4 123.9(2) . .
O5 C3 C2 115.1(2) . .
C4 C3 C2 121.0(2) . .
C3 C4 C5 119.3(2) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
C6 C5 C4 120.8(3) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C1 119.8(2) . .
C5 C6 H6 120.1 . .
C1 C6 H6 120.1 . .
O1 C7 O2 120.0(2) . .
O1 C7 C1 119.6(2) . .
O2 C7 C1 120.4(2) . .
O1 C7 Gd1 60.03(13) . 2_666
O2 C7 Gd1 60.05(12) . 2_666
C1 C7 Gd1 178.20(17) . 2_666
O4 C8 O3 125.7(2) . .
O4 C8 C2 116.5(2) . .
O3 C8 C2 117.8(2) . .
N1 C9 C10 122.7(3) . .
N1 C9 H9 118.7 . .
C10 C9 H9 118.7 . .
C9 C10 C11 120.5(3) . .
C9 C10 O5 118.5(3) . .
C11 C10 O5 121.0(3) . .
C12 C11 C10 117.0(3) . .
C12 C11 H11 121.5 . .
C10 C11 H11 121.5 . .
C11 C12 C13 119.4(3) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
N1 C13 C12 123.5(3) . .
N1 C13 H13 118.2 . .
C12 C13 H13 118.2 . .
C19 C14 C15 120.3(2) . .
C19 C14 C20 119.3(2) . .
C15 C14 C20 120.3(2) . .
C16 C15 C14 118.0(2) . .
C16 C15 C21 118.8(2) . .
C14 C15 C21 123.1(2) . .
C17 C16 C15 121.9(2) . .
C17 C16 O10 119.0(2) . .
C15 C16 O10 118.9(2) . .
C16 C17 C18 119.3(3) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 119.7(3) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C14 C19 C18 120.5(3) . .
C14 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
O6 C20 O7 120.5(2) . .
O6 C20 C14 121.4(2) . .
O7 C20 C14 118.1(2) . .
O6 C20 Gd1 57.38(13) . 2_766
O7 C20 Gd1 63.32(12) . 2_766
C14 C20 Gd1 173.47(16) . 2_766
O8 C21 O9 124.1(2) . .
O8 C21 C15 121.3(2) . .
O9 C21 C15 114.5(2) . .
N2 C22 C23 122.1(3) . .
N2 C22 H22 119.0 . .
C23 C22 H22 119.0 . .
C22 C23 O10 114.6(2) . .
C22 C23 C24 119.7(2) . .
O10 C23 C24 125.6(2) . .
C25 C24 C23 117.7(3) . .
C25 C24 H24 121.2 . .
C23 C24 H24 121.2 . .
C24 C25 C26 120.1(3) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
N2 C26 C25 122.1(3) . .
N2 C26 H26 118.9 . .
C25 C26 H26 118.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O7 2.3661(16) .
Gd1 O8 2.4006(17) .
Gd1 O3 2.4118(17) .
Gd1 O11 2.4125(17) .
Gd1 O2 2.4447(16) .
Gd1 O6 2.4786(18) 2_766
Gd1 O2 2.5016(16) 2_666
Gd1 O1 2.5049(18) 2_666
Gd1 O7 2.6071(16) 2_766
Gd1 C7 2.883(2) 2_666
Gd1 C20 2.918(2) 2_766
Zn1 O9 1.9742(18) .
Zn1 O4 1.9766(18) .
Zn1 N2 2.048(2) 2_676
Zn1 Cl1 2.2194(8) .
O1 C7 1.245(3) .
O1 Gd1 2.5049(17) 2_666
O2 C7 1.298(3) .
O2 Gd1 2.5016(16) 2_666
O3 C8 1.262(3) .
O4 C8 1.251(3) .
O5 C3 1.382(3) .
O5 C10 1.397(3) .
O6 C20 1.249(3) .
O6 Gd1 2.4786(18) 2_766
O7 C20 1.282(3) .
O7 Gd1 2.6071(16) 2_766
O8 C21 1.254(3) .
O9 C21 1.259(3) .
O10 C23 1.383(3) .
O10 C16 1.400(3) .
O11 H1W 0.8607 .
O11 H2W 0.8757 .
N1 C13 1.337(4) .
N1 C9 1.338(4) .
N2 C26 1.337(4) .
N2 C22 1.347(3) .
N2 Zn1 2.048(2) 2_676
C1 C2 1.391(3) .
C1 C6 1.400(4) .
C1 C7 1.497(3) .
C2 C3 1.404(3) .
C2 C8 1.516(3) .
C3 C4 1.382(4) .
C4 C5 1.391(4) .
C4 H4 0.9300 .
C5 C6 1.372(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 Gd1 2.883(2) 2_666
C9 C10 1.374(4) .
C9 H9 0.9300 .
C10 C11 1.375(4) .
C11 C12 1.385(4) .
C11 H11 0.9300 .
C12 C13 1.374(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C19 1.383(4) .
C14 C15 1.406(3) .
C14 C20 1.500(3) .
C15 C16 1.387(4) .
C15 C21 1.516(3) .
C16 C17 1.382(4) .
C17 C18 1.390(4) .
C17 H17 0.9300 .
C18 C19 1.386(4) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 Gd1 2.918(2) 2_766
C22 C23 1.380(4) .
C22 H22 0.9300 .
C23 C24 1.385(4) .
C24 C25 1.378(4) .
C24 H24 0.9300 .
C25 C26 1.380(4) .
C25 H25 0.9300 .
C26 H26 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O11 H1W O3 0.86 2.00 2.846(2) 167.4 2_766
O11 H2W N1 0.88 1.93 2.783(3) 164.2 1_556
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
O7 Gd1 O2 C7 98.9(2) . .
O8 Gd1 O2 C7 145.3(2) . .
O3 Gd1 O2 C7 69.6(2) . .
O11 Gd1 O2 C7 -72.7(2) . .
O6 Gd1 O2 C7 -13.3(2) 2_766 .
O2 Gd1 O2 C7 -127.5(3) 2_666 .
O1 Gd1 O2 C7 -152.6(2) 2_666 .
O7 Gd1 O2 C7 10.4(2) 2_766 .
C7 Gd1 O2 C7 -141.2(2) 2_666 .
C20 Gd1 O2 C7 -1.2(2) 2_766 .
O7 Gd1 O2 Gd1 -133.61(8) . 2_666
O8 Gd1 O2 Gd1 -87.21(8) . 2_666
O3 Gd1 O2 Gd1 -162.93(8) . 2_666
O11 Gd1 O2 Gd1 54.84(10) . 2_666
O6 Gd1 O2 Gd1 114.22(8) 2_766 2_666
O2 Gd1 O2 Gd1 0.0 2_666 2_666
O1 Gd1 O2 Gd1 -25.06(9) 2_666 2_666
O7 Gd1 O2 Gd1 137.91(6) 2_766 2_666
C7 Gd1 O2 Gd1 -13.65(8) 2_666 2_666
C20 Gd1 O2 Gd1 126.32(7) 2_766 2_666
O7 Gd1 O3 C8 -158.81(19) . .
O8 Gd1 O3 C8 -77.16(18) . .
O11 Gd1 O3 C8 136.37(18) . .
O2 Gd1 O3 C8 4.34(18) . .
O6 Gd1 O3 C8 81.60(19) 2_766 .
O2 Gd1 O3 C8 -18.8(2) 2_666 .
O1 Gd1 O3 C8 -101.65(19) 2_666 .
O7 Gd1 O3 C8 133.94(19) 2_766 .
C7 Gd1 O3 C8 -60.1(2) 2_666 .
C20 Gd1 O3 C8 106.73(19) 2_766 .
O9 Zn1 O4 C8 -7.3(2) . .
N2 Zn1 O4 C8 -128.9(2) 2_676 .
Cl1 Zn1 O4 C8 117.1(2) . .
O8 Gd1 O7 C20 52.1(3) . .
O3 Gd1 O7 C20 127.8(3) . .
O11 Gd1 O7 C20 -88.2(3) . .
O2 Gd1 O7 C20 98.4(3) . .
O6 Gd1 O7 C20 -161.9(3) 2_766 .
O2 Gd1 O7 C20 -14.6(3) 2_666 .
O1 Gd1 O7 C20 -18.8(3) 2_666 .
O7 Gd1 O7 C20 -153.8(4) 2_766 .
C7 Gd1 O7 C20 -16.3(3) 2_666 .
C20 Gd1 O7 C20 -159.2(3) 2_766 .
O8 Gd1 O7 Gd1 -154.10(8) . 2_766
O3 Gd1 O7 Gd1 -78.35(7) . 2_766
O11 Gd1 O7 Gd1 65.63(7) . 2_766
O2 Gd1 O7 Gd1 -107.72(10) . 2_766
O6 Gd1 O7 Gd1 -8.03(9) 2_766 2_766
O2 Gd1 O7 Gd1 139.26(7) 2_666 2_766
O1 Gd1 O7 Gd1 134.99(8) 2_666 2_766
O7 Gd1 O7 Gd1 0.0 2_766 2_766
C7 Gd1 O7 Gd1 137.58(7) 2_666 2_766
C20 Gd1 O7 Gd1 -5.37(8) 2_766 2_766
O7 Gd1 O8 C21 0.96(18) . .
O3 Gd1 O8 C21 -76.37(18) . .
O11 Gd1 O8 C21 71.6(2) . .
O2 Gd1 O8 C21 -154.03(19) . .
O6 Gd1 O8 C21 -115.38(19) 2_766 .
O2 Gd1 O8 C21 139.38(19) 2_666 .
O1 Gd1 O8 C21 87.00(19) 2_666 .
O7 Gd1 O8 C21 -32.5(2) 2_766 .
C7 Gd1 O8 C21 113.57(19) 2_666 .
C20 Gd1 O8 C21 -69.6(2) 2_766 .
O4 Zn1 O9 C21 -52.6(2) . .
N2 Zn1 O9 C21 69.48(19) 2_676 .
Cl1 Zn1 O9 C21 -179.29(16) . .
C6 C1 C2 C3 1.0(4) . .
C7 C1 C2 C3 -176.0(2) . .
C6 C1 C2 C8 179.6(2) . .
C7 C1 C2 C8 2.6(4) . .
C10 O5 C3 C4 -15.5(4) . .
C10 O5 C3 C2 166.3(2) . .
C1 C2 C3 O5 178.5(2) . .
C8 C2 C3 O5 -0.1(3) . .
C1 C2 C3 C4 0.2(4) . .
C8 C2 C3 C4 -178.4(2) . .
O5 C3 C4 C5 179.8(3) . .
C2 C3 C4 C5 -2.0(4) . .
C3 C4 C5 C6 2.6(4) . .
C4 C5 C6 C1 -1.4(4) . .
C2 C1 C6 C5 -0.4(4) . .
C7 C1 C6 C5 176.7(2) . .
Gd1 O1 C7 O2 -3.3(2) 2_666 .
Gd1 O1 C7 C1 177.97(19) 2_666 .
Gd1 O2 C7 O1 136.9(2) . .
Gd1 O2 C7 O1 3.3(2) 2_666 .
Gd1 O2 C7 C1 -44.3(3) . .
Gd1 O2 C7 C1 -177.98(19) 2_666 .
Gd1 O2 C7 Gd1 133.6(2) . 2_666
C2 C1 C7 O1 152.1(2) . .
C6 C1 C7 O1 -25.0(3) . .
C2 C1 C7 O2 -26.6(3) . .
C6 C1 C7 O2 156.3(2) . .
C2 C1 C7 Gd1 -131(5) . 2_666
C6 C1 C7 Gd1 52(5) . 2_666
Zn1 O4 C8 O3 -3.2(4) . .
Zn1 O4 C8 C2 177.66(15) . .
Gd1 O3 C8 O4 100.5(3) . .
Gd1 O3 C8 C2 -80.4(2) . .
C1 C2 C8 O4 -93.2(3) . .
C3 C2 C8 O4 85.4(3) . .
C1 C2 C8 O3 87.7(3) . .
C3 C2 C8 O3 -93.8(3) . .
C13 N1 C9 C10 0.0(5) . .
N1 C9 C10 C11 0.9(5) . .
N1 C9 C10 O5 178.4(3) . .
C3 O5 C10 C9 109.5(3) . .
C3 O5 C10 C11 -73.0(4) . .
C9 C10 C11 C12 -1.8(5) . .
O5 C10 C11 C12 -179.2(3) . .
C10 C11 C12 C13 1.8(5) . .
C9 N1 C13 C12 0.1(5) . .
C11 C12 C13 N1 -1.1(6) . .
C19 C14 C15 C16 -0.2(4) . .
C20 C14 C15 C16 176.1(2) . .
C19 C14 C15 C21 174.7(2) . .
C20 C14 C15 C21 -9.1(4) . .
C14 C15 C16 C17 -2.4(4) . .
C21 C15 C16 C17 -177.4(2) . .
C14 C15 C16 O10 -176.9(2) . .
C21 C15 C16 O10 8.0(4) . .
C23 O10 C16 C17 89.5(3) . .
C23 O10 C16 C15 -95.8(3) . .
C15 C16 C17 C18 2.3(4) . .
O10 C16 C17 C18 176.8(3) . .
C16 C17 C18 C19 0.3(4) . .
C15 C14 C19 C18 2.7(4) . .
C20 C14 C19 C18 -173.6(3) . .
C17 C18 C19 C14 -2.8(4) . .
Gd1 O6 C20 O7 -5.6(2) 2_766 .
Gd1 O6 C20 C14 172.44(19) 2_766 .
Gd1 O7 C20 O6 161.9(2) . .
Gd1 O7 C20 O6 5.3(2) 2_766 .
Gd1 O7 C20 C14 -16.2(4) . .
Gd1 O7 C20 C14 -172.82(19) 2_766 .
Gd1 O7 C20 Gd1 156.6(3) . 2_766
C19 C14 C20 O6 -35.3(4) . .
C15 C14 C20 O6 148.4(2) . .
C19 C14 C20 O7 142.8(2) . .
C15 C14 C20 O7 -33.5(3) . .
C19 C14 C20 Gd1 42.0(16) . 2_766
C15 C14 C20 Gd1 -134.3(14) . 2_766
Gd1 O8 C21 O9 109.0(2) . .
Gd1 O8 C21 C15 -73.6(3) . .
Zn1 O9 C21 O8 8.5(3) . .
Zn1 O9 C21 C15 -169.07(15) . .
C16 C15 C21 O8 -87.0(3) . .
C14 C15 C21 O8 98.1(3) . .
C16 C15 C21 O9 90.6(3) . .
C14 C15 C21 O9 -84.2(3) . .
C26 N2 C22 C23 0.8(4) . .
Zn1 N2 C22 C23 -177.1(2) 2_676 .
N2 C22 C23 O10 -177.4(3) . .
N2 C22 C23 C24 0.7(4) . .
C16 O10 C23 C22 -158.0(2) . .
C16 O10 C23 C24 24.0(4) . .
C22 C23 C24 C25 -1.5(4) . .
O10 C23 C24 C25 176.4(3) . .
C23 C24 C25 C26 0.8(5) . .
C22 N2 C26 C25 -1.6(5) . .
Zn1 N2 C26 C25 176.1(2) 2_676 .
C24 C25 C26 N2 0.8(5) . .
