#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/52/2105254.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105254
loop_
_publ_author_name
'Davies, Kate'
'Bourne, Susan A.'
'Öhrström, Lars'
'Oliver, Clive L.'
_publ_section_title
;
 Topological studies of three related metal-organic frameworks of GdIII
 and 5-nitroisophthalate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              528
_journal_page_last               535
_journal_paper_doi               10.1107/S0108768112032053
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'C36 H42.35 Gd2 N7 O24.67'
_chemical_formula_weight         1282.34
_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                 105.2080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.9427(2)
_cell_length_b                   16.9411(2)
_cell_length_c                   25.2889(2)
_cell_measurement_reflns_used    25385
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     10311.77(18)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT 2000'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa CCD diffractometer'
_diffrn_measurement_method       'omega- and phi-scans of 0.5 deg.'
_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  0.0824
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            180368
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    2.636
_exptl_absorpt_correction_T_max  0.6932
_exptl_absorpt_correction_T_min  0.5052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'program SADABS'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Irregular blocks'
_exptl_crystal_F_000             5062
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.732
_refine_diff_density_min         -2.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     616
_refine_ls_number_reflns         11826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0402
_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)+(0.0543P)²+84.1706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1139
_reflns_number_gt                9903
_reflns_number_total             11826
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hw5022.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        10311.77(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2105254
_cod_database_fobs_code          2105254
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd Gd1 0.218148(9) 0.817639(12) 0.052427(8) 0.01701(7) Uani d . 1 1 . 1
Gd Gd2 0.408743(9) 0.899477(13) -0.261900(9) 0.01900(7) Uani d . 1 1 . 2
O O21 0.35149(18) 0.7840(3) -0.27179(18) 0.0452(10) Uani d . 1 1 . .
O O8 0.12362(14) 0.8762(2) 0.04171(14) 0.0265(7) Uani d . 1 1 . .
O O7 0.15039(14) 0.7754(2) 0.09801(14) 0.0288(8) Uani d . 1 1 . .
O O17 0.33782(14) 0.9825(2) -0.23919(14) 0.0277(7) Uani d . 1 1 . .
O O14 0.21363(14) 0.9137(2) -0.01861(13) 0.0236(7) Uani d . 1 1 . .
O O13 0.25176(14) 0.81279(19) -0.05061(14) 0.0244(7) Uani d . 1 1 . 2
O O2 0.34848(13) 0.7478(2) 0.01923(14) 0.0271(7) Uani d . 1 1 . .
O O12 0.02815(15) 0.6787(2) 0.20631(15) 0.0346(9) Uani d . 1 1 . .
O O11 -0.06335(15) 0.6880(2) 0.17329(15) 0.0317(8) Uani d . 1 1 . .
O O6 0.45205(15) 1.0122(2) 0.19367(15) 0.0316(8) Uani d . 1 1 . .
O O19 0.26483(15) 0.7891(2) 0.14812(14) 0.0313(8) Uani d . 1 1 . .
O O18 0.36959(17) 0.8845(2) -0.18203(16) 0.0366(9) Uani d . 1 1 . .
O O5 0.54116(15) 1.0093(2) 0.19353(15) 0.0340(8) Uani d . 1 1 . .
C C17 0.23784(19) 0.8840(3) -0.05202(18) 0.0210(9) Uani d . 1 1 . 2
C C1 0.35421(19) 0.8056(3) 0.05138(19) 0.0210(9) Uani d . 1 1 . .
C C9 0.11400(19) 0.8246(3) 0.07382(19) 0.0222(9) Uani d . 1 1 . 2
O O20 0.22862(14) 0.9417(2) 0.10166(14) 0.0271(7) Uani d . 1 1 . .
N N2 -0.0807(2) 0.9129(3) 0.0342(2) 0.0418(12) Uani d . 1 1 . .
C C23 0.3384(2) 0.9430(3) -0.1967(2) 0.0253(10) Uani d . 1 1 . 1
N N7 0.3236(2) 0.8825(3) -0.43919(19) 0.0380(11) Uani d . 1 1 . .
N N5 0.2027(2) 1.0663(3) 0.1151(2) 0.0399(12) Uani d . 1 1 . .
C C25 0.3052(2) 0.8224(3) 0.1784(2) 0.0294(11) Uani d . 1 1 . .
H H25 0.3137 0.8746 0.1694 0.035 Uiso calc R 1 1 . .
N N1 0.55757(19) 0.7862(3) 0.0673(2) 0.0436(13) Uani d . 1 1 . .
N N3 0.2340(2) 1.1508(3) -0.1325(2) 0.0453(13) Uani d . 1 1 . .
N N4 0.3374(2) 0.7896(3) 0.2227(2) 0.0420(12) Uani d . 1 1 . .
C C34 0.3336(2) 0.8674(4) -0.3869(2) 0.0383(13) Uani d . 1 1 . .
H H34 0.3333 0.8136 -0.3763 0.046 Uiso calc R 1 1 . .
C C28 0.2053(2) 1.0042(3) 0.0846(2) 0.0353(12) Uani d . 1 1 . .
H H28 0.1878 1.0079 0.0465 0.042 Uiso calc R 1 1 . .
C C29 0.2262(3) 1.0666(4) 0.1741(3) 0.0453(15) Uani d . 1 1 . .
H H29A 0.1962 1.0649 0.1924 0.068 Uiso calc R 1 1 . .
H H29B 0.2481 1.1148 0.1848 0.068 Uiso calc R 1 1 . .
H H29C 0.2503 1.0204 0.1848 0.068 Uiso calc R 1 1 . .
C C35 0.3165(4) 0.8218(5) -0.4803(3) 0.072(3) Uani d . 1 1 . .
H H35A 0.3210 0.7699 -0.4625 0.109 Uiso calc R 1 1 . .
H H35B 0.3444 0.8283 -0.5009 0.109 Uiso calc R 1 1 . .
H H35C 0.2793 0.8258 -0.5053 0.109 Uiso calc R 1 1 . .
C C36 0.3247(4) 0.9638(4) -0.4579(3) 0.060(2) Uani d . 1 1 . .
H H36A 0.3302 0.9996 -0.4266 0.091 Uiso calc R 1 1 . .
H H36B 0.2893 0.9760 -0.4845 0.091 Uiso calc R 1 1 . .
H H36C 0.3552 0.9702 -0.4753 0.091 Uiso calc R 1 1 . .
C C27 0.3846(3) 0.8314(5) 0.2580(3) 0.062(2) Uani d . 1 1 . .
H H27A 0.3873 0.8842 0.2431 0.093 Uiso calc R 1 1 . .
H H27B 0.4188 0.8020 0.2596 0.093 Uiso calc R 1 1 . .
H H27C 0.3793 0.8360 0.2949 0.093 Uiso calc R 1 1 . .
N N6 0.3598(2) 0.6589(3) -0.2390(2) 0.0455(12) Uani d . 1 1 . .
C C7 0.4921(2) 0.9858(3) 0.17824(19) 0.0243(10) Uani d . 1 1 . .
C C15 -0.0145(2) 0.7052(3) 0.1734(2) 0.0251(10) Uani d . 1 1 . .
C C31 0.3398(3) 0.7321(4) -0.2423(2) 0.0400(13) Uani d . 1 1 . .
H H31 0.3151 0.7453 -0.2208 0.048 Uiso calc R 1 1 . .
C C33 0.4008(4) 0.6385(5) -0.2672(4) 0.073(2) Uani d . 1 1 . 1
H H33A 0.4094 0.6850 -0.2865 0.110 Uiso calc R 1 1 . 1
H H33B 0.3864 0.5964 -0.2936 0.110 Uiso calc R 1 1 . 1
H H33C 0.4346 0.6203 -0.2406 0.110 Uiso calc R 1 1 . 1
C C32 0.3417(4) 0.5995(4) -0.2061(3) 0.0577(19) Uani d . 1 1 . .
H H32A 0.3170 0.6238 -0.1863 0.087 Uiso calc R 1 1 . .
H H32B 0.3741 0.5770 -0.1798 0.087 Uiso calc R 1 1 . .
H H32C 0.3217 0.5576 -0.2301 0.087 Uiso calc R 1 1 . .
C C8 0.42499(19) 0.8935(3) 0.11473(18) 0.0217(9) Uani d . 1 1 . .
H H8 0.3956 0.9178 0.1262 0.026 Uiso calc R 1 1 . .
C C10 0.0574(2) 0.8216(3) 0.0842(2) 0.0239(10) Uani d . 1 1 . 2
C C6 0.47924(19) 0.9195(3) 0.13667(18) 0.0220(9) Uani d . 1 1 A .
C C2 0.41267(19) 0.8323(3) 0.07611(18) 0.0219(9) Uani d . 1 1 . .
C C5 0.52278(19) 0.8853(3) 0.12028(19) 0.0245(10) Uani d . 1 1 . .
H H5 0.5599 0.9033 0.1343 0.029 Uiso calc R 1 1 A .
C C18 0.25198(19) 0.9388(3) -0.09355(18) 0.0221(9) Uani d . 1 1 . .
C C13 -0.0478(2) 0.8114(3) 0.1024(2) 0.0260(10) Uani d . 1 1 . .
H H13 -0.0840 0.8078 0.1078 0.031 Uiso calc R 1 1 . .
C C14 -0.0050(2) 0.7628(3) 0.13125(19) 0.0239(9) Uani d . 1 1 . .
C C22 0.3005(2) 0.9678(3) -0.16220(19) 0.0243(10) Uani d . 1 1 . .
C C3 0.4569(2) 0.7965(3) 0.0602(2) 0.0273(10) Uani d . 1 1 . .
H H3 0.4504 0.7545 0.0344 0.033 Uiso calc R 1 1 A .
C C4 0.5105(2) 0.8242(3) 0.0830(2) 0.0272(10) Uani d . 1 1 A .
C C19 0.2322(2) 1.0157(3) -0.0974(2) 0.0274(10) Uani d . 1 1 . .
H H19 0.2077 1.0326 -0.0765 0.033 Uiso calc R 1 1 . .
C C24 0.2869(2) 0.9149(3) -0.12543(19) 0.0228(9) Uani d . 1 1 . .
H H24 0.3014 0.8627 -0.1222 0.027 Uiso calc R 1 1 . .
C C20 0.2488(2) 1.0668(3) -0.1322(2) 0.0331(12) Uani d . 1 1 . .
C C21 0.2812(2) 1.0440(3) -0.1662(2) 0.0316(11) Uani d . 1 1 . .
H H21 0.2899 1.0800 -0.1916 0.038 Uiso calc R 1 1 . .
C C11 0.0159(2) 0.8717(3) 0.0564(2) 0.0276(10) Uani d . 1 1 . .
H H11 0.0228 0.9098 0.0314 0.033 Uiso calc R 1 1 . 2
C C12 -0.0361(2) 0.8648(3) 0.0659(2) 0.0299(11) Uani d . 1 1 . .
C C16 0.04704(19) 0.7669(3) 0.12154(19) 0.0237(9) Uani d . 1 1 . .
H H16 0.0758 0.7324 0.1404 0.028 Uiso calc R 1 1 . 2
O O22 0.34350(15) 0.9176(2) -0.34991(15) 0.0337(8) Uani d . 1 1 . .
O O1 0.31612(13) 0.8423(2) 0.06486(14) 0.0248(7) Uani d . 1 1 . .
C C26 0.3250(4) 0.7113(5) 0.2399(4) 0.073(2) Uiso d . 1 1 . 1
H H26A 0.2995 0.7157 0.2633 0.109 Uiso calc R 1 1 . 1
H H26B 0.3595 0.6859 0.2604 0.109 Uiso calc R 1 1 . 1
H H26C 0.3077 0.6796 0.2075 0.109 Uiso calc R 1 1 . 1
O O9 -0.0720(2) 0.9557(3) -0.0023(2) 0.0590(13) Uani d . 1 1 . .
O O10 -0.1263(2) 0.9081(3) 0.0435(2) 0.0646(15) Uani d . 1 1 . .
O O16 0.2539(2) 1.1974(3) -0.1584(2) 0.0561(13) Uani d . 1 1 . .
O O4 0.6047(2) 0.8122(3) 0.0864(2) 0.0575(13) Uiso d . 1 1 A .
O O3A 0.5473(3) 0.7200(8) 0.0423(5) 0.041(3) Uiso d P 0.57(4) 1 A 1
O O15 0.2010(2) 1.1702(3) -0.1065(2) 0.0687(15) Uiso d . 1 1 . .
C C30 0.1749(4) 1.1388(6) 0.0921(4) 0.082(3) Uiso d . 1 1 . .
H H30A 0.1611 1.1333 0.0522 0.123 Uiso calc R 1 1 . .
H H30B 0.2012 1.1829 0.1006 0.123 Uiso calc R 1 1 . .
H H30C 0.1437 1.1491 0.1079 0.123 Uiso calc R 1 1 . .
O O3B 0.5489(4) 0.7447(10) 0.0273(6) 0.036(4) Uiso d P 0.43(4) 1 A 2
O O25 0.4693(4) 0.6192(6) 0.1381(4) 0.088(3) Uiso d P 0.68 1 B 3
O O24 0.4198(6) 0.5960(8) 0.0981(6) 0.085(4) Uiso d P 0.48 1 C 5
O O27 0.5137(7) 1.0258(10) 0.0204(7) 0.099(5) Uiso d P 0.46 1 . 6
O O28 0.4644(11) 1.0717(16) 0.0266(11) 0.112(8) Uiso d P 0.33 1 D 8
O O23 0.5500(9) 0.6624(14) 0.1758(9) 0.124(7) Uiso d P 0.41 1 E 1
O O26 0.5204(13) 0.5972(17) 0.1276(12) 0.123(9) Uiso d P 0.32 1 F 4
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O2 Gd1 O7 7_565 . 77.74(12)
O2 Gd1 O14 7_565 . 81.98(12)
O7 Gd1 O14 . . 131.44(11)
O2 Gd1 O1 7_565 . 131.14(11)
O7 Gd1 O1 . . 143.83(12)
O14 Gd1 O1 . . 80.09(12)
O2 Gd1 O20 7_565 . 138.88(11)
O7 Gd1 O20 . . 90.36(12)
O14 Gd1 O20 . . 76.94(11)
O1 Gd1 O20 . . 79.29(11)
O2 Gd1 O19 7_565 . 135.76(12)
O7 Gd1 O19 . . 71.15(12)
O14 Gd1 O19 . . 142.24(12)
O1 Gd1 O19 . . 72.68(12)
O20 Gd1 O19 . . 72.74(12)
O2 Gd1 O8 7_565 . 69.75(11)
O7 Gd1 O8 . . 53.61(11)
O14 Gd1 O8 . . 78.04(11)
O1 Gd1 O8 . . 146.72(11)
O20 Gd1 O8 . . 71.55(12)
O19 Gd1 O8 . . 112.08(12)
O12 Gd2 O6 7_565 6_575 110.31(13)
O12 Gd2 O21 7_565 . 83.36(15)
O6 Gd2 O21 6_575 . 145.32(14)
O12 Gd2 O22 7_565 . 147.81(14)
O6 Gd2 O22 6_575 . 75.88(13)
O21 Gd2 O22 . . 76.57(15)
O12 Gd2 O5 7_565 5_675 77.47(15)
O6 Gd2 O5 6_575 5_675 73.27(14)
O21 Gd2 O5 . 5_675 141.38(14)
O22 Gd2 O5 . 5_675 132.78(14)
O12 Gd2 O11 7_565 8_565 77.64(14)
O6 Gd2 O11 6_575 8_565 79.28(13)
O21 Gd2 O11 . 8_565 72.64(14)
O22 Gd2 O11 . 8_565 72.51(13)
O5 Gd2 O11 5_675 8_565 133.25(12)
O12 Gd2 O17 7_565 . 128.61(12)
O6 Gd2 O17 6_575 . 101.64(12)
O21 Gd2 O17 . . 92.65(14)
O22 Gd2 O17 . . 77.78(12)
O5 Gd2 O17 5_675 . 74.52(12)
O11 Gd2 O17 8_565 . 149.13(12)
O12 Gd2 O18 7_565 . 77.92(12)
O6 Gd2 O18 6_575 . 143.16(14)
O21 Gd2 O18 . . 69.49(15)
O22 Gd2 O18 . . 116.84(13)
O5 Gd2 O18 5_675 . 73.84(14)
O11 Gd2 O18 8_565 . 136.71(13)
O17 Gd2 O18 . . 53.33(11)
C31 O21 Gd2 . . 138.2(4)
C9 O8 Gd1 . . 89.3(3)
C9 O7 Gd1 . . 94.5(3)
C23 O17 Gd2 . . 92.7(3)
C17 O14 Gd1 . . 107.0(3)
C1 O2 Gd1 . 7_565 142.4(3)
C15 O12 Gd2 . 7_565 164.4(4)
C15 O11 Gd2 . 8_466 126.1(3)
C7 O6 Gd2 . 6_576 154.5(3)
C25 O19 Gd1 . . 128.8(3)
C23 O18 Gd2 . . 91.4(3)
C7 O5 Gd2 . 5_675 135.1(3)
O13 C17 O14 . . 122.8(4)
O13 C17 C18 . . 119.8(4)
O14 C17 C18 . . 117.3(4)
O1 C1 O2 . . 126.6(4)
O1 C1 C2 . . 117.4(4)
O2 C1 C2 . . 116.0(4)
O8 C9 O7 . . 122.4(4)
O8 C9 C10 . . 118.9(4)
O7 C9 C10 . . 118.7(4)
C28 O20 Gd1 . . 126.1(3)
O10 N2 O9 . . 122.4(5)
O10 N2 C12 . . 118.5(5)
O9 N2 C12 . . 119.0(5)
O18 C23 O17 . . 122.6(4)
O18 C23 C22 . . 119.0(4)
O17 C23 C22 . . 118.4(4)
C34 N7 C35 . . 123.1(6)
C34 N7 C36 . . 119.9(5)
C35 N7 C36 . . 116.7(5)
C28 N5 C29 . . 122.5(5)
C28 N5 C30 . . 122.1(6)
C29 N5 C30 . . 115.4(6)
O19 C25 N4 . . 123.6(5)
O3B N1 O4 . . 118.8(7)
O4 N1 O3A . . 123.7(6)
O3B N1 C4 . . 119.9(6)
O4 N1 C4 . . 118.8(5)
O3A N1 C4 . . 116.3(6)
O16 N3 O15 . . 122.9(6)
O16 N3 C20 . . 119.7(5)
O15 N3 C20 . . 117.4(5)
C25 N4 C26 . . 120.6(6)
C25 N4 C27 . . 121.9(5)
C26 N4 C27 . . 117.4(6)
O22 C34 N7 . . 125.3(6)
O20 C28 N5 . . 125.0(5)
C31 N6 C33 . . 119.7(6)
C31 N6 C32 . . 121.1(6)
C33 N6 C32 . . 119.2(6)
O6 C7 O5 . . 126.1(5)
O6 C7 C6 . . 116.3(4)
O5 C7 C6 . . 117.6(4)
O12 C15 O11 . . 125.0(4)
O12 C15 C14 . . 116.1(4)
O11 C15 C14 . . 118.8(4)
O21 C31 N6 . . 123.9(6)
C6 C8 C2 . . 121.6(4)
C11 C10 C16 . . 120.4(4)
C11 C10 C9 . . 120.2(4)
C16 C10 C9 . . 119.4(4)
C5 C6 C8 . . 120.2(4)
C5 C6 C7 . . 118.6(4)
C8 C6 C7 . . 121.2(4)
C8 C2 C3 . . 118.2(4)
C8 C2 C1 . . 121.7(4)
C3 C2 C1 . . 120.1(4)
C4 C5 C6 . . 117.9(4)
C19 C18 C24 . . 119.8(4)
C19 C18 C17 . . 118.8(4)
C24 C18 C17 . . 121.3(4)
C12 C13 C14 . . 118.0(4)
C16 C14 C13 . . 120.2(4)
C16 C14 C15 . . 119.1(4)
C13 C14 C15 . . 120.7(4)
C21 C22 C24 . . 120.7(4)
C21 C22 C23 . . 118.8(4)
C24 C22 C23 . . 120.4(4)
C4 C3 C2 . . 118.4(4)
C5 C4 C3 . . 123.6(4)
C5 C4 N1 . . 117.4(4)
C3 C4 N1 . . 119.0(4)
C20 C19 C18 . . 118.3(4)
C18 C24 C22 . . 119.8(4)
C19 C20 C21 . . 123.2(5)
C19 C20 N3 . . 119.7(4)
C21 C20 N3 . . 117.1(5)
C22 C21 C20 . . 118.0(5)
C10 C11 C12 . . 118.1(5)
C13 C12 C11 . . 123.0(5)
C13 C12 N2 . . 118.4(5)
C11 C12 N2 . . 118.5(5)
C14 C16 C10 . . 120.2(4)
C34 O22 Gd2 . . 124.2(4)
C1 O1 Gd1 . . 133.7(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Gd1 O2 7_565 2.386(3)
Gd1 O7 . 2.391(3)
Gd1 O14 . 2.405(3)
Gd1 O1 . 2.417(3)
Gd1 O20 . 2.422(3)
Gd1 O19 . 2.443(4)
Gd1 O8 . 2.506(3)
Gd2 O12 7_565 2.247(4)
Gd2 O6 6_575 2.303(3)
Gd2 O21 . 2.396(4)
Gd2 O22 . 2.407(4)
Gd2 O5 5_675 2.409(3)
Gd2 O11 8_565 2.442(3)
Gd2 O17 . 2.444(3)
Gd2 O18 . 2.477(3)
O21 C31 . 1.235(7)
O8 C9 . 1.258(6)
O7 C9 . 1.265(6)
O17 C23 . 1.263(6)
O14 C17 . 1.265(5)
O13 C17 . 1.253(6)
O2 C1 . 1.256(6)
O2 Gd1 7_565 2.386(3)
O12 C15 . 1.249(6)
O12 Gd2 7_565 2.247(4)
O11 C15 . 1.254(6)
O11 Gd2 8_466 2.442(3)
O6 C7 . 1.246(6)
O6 Gd2 6_576 2.303(3)
O19 C25 . 1.231(6)
O18 C23 . 1.255(6)
O5 C7 . 1.249(6)
O5 Gd2 5_675 2.409(3)
C17 C18 . 1.511(6)
C1 O1 . 1.255(6)
C1 C2 . 1.498(6)
C9 C10 . 1.503(6)
O20 C28 . 1.230(6)
N2 O10 . 1.224(7)
N2 O9 . 1.237(6)
N2 C12 . 1.440(7)
C23 C22 . 1.504(6)
N7 C34 . 1.305(7)
N7 C35 . 1.439(8)
N7 C36 . 1.458(8)
N5 C28 . 1.316(7)
N5 C29 . 1.451(8)
N5 C30 . 1.456(11)
C25 N4 . 1.317(7)
N1 O3B . 1.203(11)
N1 O4 . 1.229(7)
N1 O3A . 1.280(11)
N1 C4 . 1.481(6)
N3 O16 . 1.211(7)
N3 O15 . 1.227(7)
N3 C20 . 1.470(7)
N4 C26 . 1.453(10)
N4 C27 . 1.459(8)
C34 O22 . 1.240(7)
N6 C31 . 1.331(8)
N6 C33 . 1.434(9)
N6 C32 . 1.449(8)
C7 C6 . 1.514(6)
C15 C14 . 1.507(6)
C8 C6 . 1.393(6)
C8 C2 . 1.403(6)
C10 C11 . 1.381(7)
C10 C16 . 1.394(7)
C6 C5 . 1.387(6)
C2 C3 . 1.408(6)
C5 C4 . 1.378(7)
C18 C19 . 1.388(7)
C18 C24 . 1.393(6)
C13 C12 . 1.379(7)
C13 C14 . 1.394(7)
C14 C16 . 1.384(6)
C22 C21 . 1.372(7)
C22 C24 . 1.397(6)
C3 C4 . 1.391(7)
C19 C20 . 1.375(7)
C20 C21 . 1.380(7)
C11 C12 . 1.384(7)
O27 O27 5_675 1.39(3)
