#------------------------------------------------------------------------------
#$Date: 2019-11-24 00:48:13 +0200 (Sun, 24 Nov 2019) $
#$Revision: 235837 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/97/4349792.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_4349792
loop_
_publ_author_name
'Chen, Hong-Man'
'Wang, Wen-Min'
'Li, Xiao-Qin'
'Chu, Xiao-Ya'
'Nie, Yao-Yao'
'Liu, Zhen'
'Huang, Shao-Xia'
'Shen, Hai-Yun'
'Cui, Jian-Zhong'
'Gao, Hong-Ling'
_publ_section_title
;
 Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb,
 Er) bridged by CO32− deriving from the spontaneous fixation of
 carbon dioxide in the atmosphere
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              394
_journal_paper_doi               10.1039/C7QI00658F
_journal_volume                  5
_journal_year                    2018
_chemical_formula_sum            'C62 H84 Cl2 Gd4 N12 O25'
_chemical_formula_weight         2097.31
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2'
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C 2 2 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-10-05 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.800(3)
_cell_length_b                   24.707(3)
_cell_length_c                   21.429(2)
_cell_measurement_reflns_used    12225
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     7836(2)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33987
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.490
_exptl_absorpt_correction_T_max  0.6795
_exptl_absorpt_correction_T_min  0.5420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4120
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.020(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         6912
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0229
_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)+(0.0270P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0557
_reflns_number_gt                6609
_reflns_number_total             6912
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7qi00658f2.cif
_cod_data_source_block           m20170611c1
_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/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/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_cell_volume        7835.8(18)
_cod_original_sg_symbol_H-M      C222(1)
_cod_database_code               4349792
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 0.681769(14) 0.660777(9) 0.683709(10) 0.01715(6) Uani 1 1 d .
Gd2 Gd 0.421517(14) 0.637470(9) 0.650171(9) 0.01702(6) Uani 1 1 d .
O1 O 0.8254(2) 0.65568(13) 0.64854(15) 0.0248(7) Uani 1 1 d .
O2 O 0.5497(2) 0.69567(13) 0.63535(13) 0.0187(7) Uani 1 1 d .
O3 O 0.3133(3) 0.74622(16) 0.57482(18) 0.0369(9) Uani 1 1 d .
H3 H 0.2835 0.7586 0.6050 0.055 Uiso 1 1 calc R
O4 O 0.3001(2) 0.61506(12) 0.71462(14) 0.0182(7) Uani 1 1 d .
O5 O 0.5611(2) 0.59674(12) 0.68017(15) 0.0189(7) Uani 1 1 d .
O6 O 0.8115(2) 0.54725(14) 0.65413(17) 0.0278(7) Uani 1 1 d .
H6 H 0.8442 0.5750 0.6531 0.042 Uiso 1 1 calc R
O7 O 0.4794(2) 0.60618(14) 0.55406(15) 0.0262(8) Uani 1 1 d .
O8 O 0.2986(2) 0.63156(15) 0.58180(14) 0.0278(8) Uani 1 1 d .
O9 O 0.5736(2) 0.69435(12) 0.76198(13) 0.0176(6) Uani 1 1 d .
O10 O 0.5000 0.7720(2) 0.7500 0.0272(11) Uani 1 2 d S
O11 O 0.6647(2) 0.63136(15) 0.56873(14) 0.0268(8) Uani 1 1 d .
H11 H 0.6061 0.6373 0.5520 0.032 Uiso 1 1 calc R
O12 O 0.7559(2) 0.72853(15) 0.75136(18) 0.0316(9) Uani 1 1 d .
H12 H 0.7150 0.7446 0.7801 0.038 Uiso 1 1 calc R
N1 N 0.7014(3) 0.74251(17) 0.61516(19) 0.0226(9) Uani 1 1 d .
N2 N 0.6227(3) 0.77087(16) 0.59553(19) 0.0234(9) Uani 1 1 d .
N3 N 0.3985(3) 0.72982(17) 0.59561(18) 0.0246(9) Uani 1 1 d .
N4 N 0.4228(3) 0.53736(15) 0.67102(16) 0.0207(8) Uani 1 1 d .
N5 N 0.5066(3) 0.50936(16) 0.66991(17) 0.0224(9) Uani 1 1 d .
N6 N 0.7235(3) 0.56208(17) 0.66537(16) 0.0227(9) Uani 1 1 d .
C28 C 0.5000 0.7216(3) 0.7500 0.0197(15) Uani 1 2 d S
C1 C 0.8861(3) 0.6890(2) 0.6250(2) 0.0254(11) Uani 1 1 d .
C2 C 0.9771(3) 0.6734(2) 0.6238(2) 0.0302(12) Uani 1 1 d .
H2 H 0.9928 0.6385 0.6390 0.036 Uiso 1 1 calc R
C3 C 1.0445(4) 0.7063(2) 0.6015(2) 0.0349(13) Uani 1 1 d .
H3A H 1.1055 0.6945 0.6036 0.042 Uiso 1 1 calc R
C4 C 1.0251(4) 0.7563(2) 0.5762(2) 0.0301(12) Uani 1 1 d .
C5 C 0.9352(3) 0.7719(2) 0.5740(2) 0.0306(12) Uani 1 1 d .
H5 H 0.9205 0.8057 0.5554 0.037 Uiso 1 1 calc R
C6 C 0.8652(3) 0.7399(2) 0.5979(2) 0.0250(12) Uani 1 1 d .
C7 C 0.7742(4) 0.7617(2) 0.5906(2) 0.0264(12) Uani 1 1 d .
H7 H 0.7679 0.7930 0.5652 0.032 Uiso 1 1 calc R
C8 C 1.0992(4) 0.7928(3) 0.5524(3) 0.0414(15) Uani 1 1 d .
H8A H 1.1326 0.8079 0.5878 0.062 Uiso 1 1 calc R
H8B H 1.0725 0.8223 0.5279 0.062 Uiso 1 1 calc R
H8C H 1.1404 0.7719 0.5259 0.062 Uiso 1 1 calc R
C9 C 0.5510(3) 0.7426(2) 0.6079(2) 0.0210(10) Uani 1 1 d .
C10 C 0.4619(3) 0.7646(2) 0.5879(2) 0.0228(11) Uani 1 1 d .
C11 C 0.4502(4) 0.8194(2) 0.5619(3) 0.0317(12) Uani 1 1 d .
H11A H 0.4233 0.8168 0.5203 0.048 Uiso 1 1 calc R
H11B H 0.5091 0.8373 0.5591 0.048 Uiso 1 1 calc R
H11C H 0.4104 0.8404 0.5892 0.048 Uiso 1 1 calc R
C12 C 0.2379(3) 0.57808(19) 0.6990(2) 0.0203(10) Uani 1 1 d .
C13 C 0.1461(3) 0.5898(2) 0.7037(2) 0.0231(11) Uani 1 1 d .
H13 H 0.1279 0.6248 0.7171 0.028 Uiso 1 1 calc R
C14 C 0.0810(4) 0.5518(2) 0.6895(2) 0.0284(11) Uani 1 1 d .
H14 H 0.0192 0.5615 0.6936 0.034 Uiso 1 1 calc R
C15 C 0.1024(3) 0.4994(2) 0.6693(2) 0.0286(12) Uani 1 1 d .
C16 C 0.1928(3) 0.4878(2) 0.6650(2) 0.0277(11) Uani 1 1 d .
H16 H 0.2097 0.4524 0.6522 0.033 Uiso 1 1 calc R
C17 C 0.2617(3) 0.52494(19) 0.6784(2) 0.0211(10) Uani 1 1 d .
C18 C 0.3527(3) 0.5065(2) 0.6738(2) 0.0239(11) Uani 1 1 d .
H18 H 0.3624 0.4685 0.6728 0.029 Uiso 1 1 calc R
C19 C 0.0295(4) 0.4587(2) 0.6541(3) 0.0401(14) Uani 1 1 d .
H19A H 0.0560 0.4281 0.6314 0.060 Uiso 1 1 calc R
H19B H -0.0168 0.4759 0.6281 0.060 Uiso 1 1 calc R
H19C H 0.0019 0.4456 0.6928 0.060 Uiso 1 1 calc R
C20 C 0.5718(3) 0.54453(18) 0.6740(2) 0.0191(10) Uani 1 1 d .
C21 C 0.6656(3) 0.5239(2) 0.66681(19) 0.0207(11) Uani 1 1 d .
C22 C 0.6879(4) 0.4659(2) 0.6592(3) 0.0334(12) Uani 1 1 d .
H22A H 0.6995 0.4583 0.6150 0.050 Uiso 1 1 calc R
H22B H 0.6372 0.4438 0.6737 0.050 Uiso 1 1 calc R
H22C H 0.7419 0.4573 0.6837 0.050 Uiso 1 1 calc R
C23 C 0.5050(5) 0.5607(3) 0.4579(3) 0.059(2) Uani 1 1 d .
H23A H 0.5127 0.5879 0.4251 0.088 Uiso 1 1 calc R
H23B H 0.4794 0.5276 0.4399 0.088 Uiso 1 1 calc R
H23C H 0.5638 0.5525 0.4767 0.088 Uiso 1 1 calc R
C24 C 0.4417(4) 0.5824(2) 0.5076(2) 0.0350(14) Uani 1 1 d .
C25 C 0.3497(4) 0.5769(3) 0.4994(2) 0.0399(15) Uani 1 1 d .
H25 H 0.3303 0.5538 0.4666 0.048 Uiso 1 1 calc R
C26 C 0.2825(4) 0.6020(2) 0.5344(2) 0.0287(12) Uani 1 1 d .
C27 C 0.1851(4) 0.5950(3) 0.5166(3) 0.0479(16) Uani 1 1 d .
H27A H 0.1496 0.5863 0.5539 0.072 Uiso 1 1 calc R
H27B H 0.1796 0.5654 0.4864 0.072 Uiso 1 1 calc R
H27C H 0.1625 0.6286 0.4981 0.072 Uiso 1 1 calc R
C29 C 0.7255(4) 0.6083(3) 0.5263(2) 0.0431(16) Uani 1 1 d .
H29A H 0.7862 0.6226 0.5340 0.065 Uiso 1 1 calc R
H29B H 0.7069 0.6173 0.4836 0.065 Uiso 1 1 calc R
H29C H 0.7259 0.5689 0.5316 0.065 Uiso 1 1 calc R
C30 C 0.8447(4) 0.7491(3) 0.7575(3) 0.0493(17) Uani 1 1 d .
H30A H 0.8881 0.7192 0.7558 0.074 Uiso 1 1 calc R
H30B H 0.8505 0.7679 0.7976 0.074 Uiso 1 1 calc R
H30C H 0.8571 0.7745 0.7235 0.074 Uiso 1 1 calc R
O13 O 0.3426(3) 0.81429(16) 0.7150(2) 0.0415(10) Uani 1 1 d .
H13A H 0.3979 0.8131 0.7065 0.062 Uiso 1 1 calc R
C31 C 0.3263(4) 0.8567(3) 0.7573(3) 0.0529(16) Uani 1 1 d .
H31A H 0.3335 0.8434 0.8001 0.079 Uiso 1 1 calc R
H31B H 0.2646 0.8702 0.7516 0.079 Uiso 1 1 calc R
H31C H 0.3694 0.8861 0.7497 0.079 Uiso 1 1 calc R
Cl1 Cl 0.5215(3) 0.64054(19) 0.1849(2) 0.0864(12) Uani 0.50 1 d PDU
C32 C 0.5000 0.6045(7) 0.2500 0.075(6) Uani 0.50 2 d SPDU
H32A H 0.4475 0.5808 0.2417 0.090 Uiso 0.25 1 calc PR
H32B H 0.5525 0.5808 0.2583 0.090 Uiso 0.25 1 calc PR
Cl2 Cl 0.04197(19) 0.55518(11) 0.97657(14) 0.0385(6) Uani 0.50 1 d PDU
C33 C 0.1075(8) 0.5000 1.0000 0.023(3) Uani 0.50 2 d SPDU
H33A H 0.1469 0.5112 1.0350 0.028 Uiso 0.25 1 calc PR
H33B H 0.1469 0.4888 0.9650 0.028 Uiso 0.25 1 calc PR
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'
Cl Cl 0.1484 0.1585 '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
O1 Gd1 O2 130.49(11) . .
O1 Gd1 O5 131.04(11) . .
O2 Gd1 O5 67.10(11) . .
O1 Gd1 O9 149.06(11) . .
O2 Gd1 O9 68.89(10) . .
O5 Gd1 O9 76.02(11) . .
O1 Gd1 O4 99.59(11) . 3_656
O2 Gd1 O4 129.85(10) . 3_656
O5 Gd1 O4 78.82(11) . 3_656
O9 Gd1 O4 67.89(10) . 3_656
O1 Gd1 O12 79.37(12) . .
O2 Gd1 O12 112.06(12) . .
O5 Gd1 O12 143.10(12) . .
O9 Gd1 O12 70.18(12) . .
O4 Gd1 O12 75.16(11) 3_656 .
O1 Gd1 N1 74.99(12) . .
O2 Gd1 N1 63.16(11) . .
O5 Gd1 N1 126.89(12) . .
O9 Gd1 N1 101.69(11) . .
O4 Gd1 N1 150.53(12) 3_656 .
O12 Gd1 N1 75.36(13) . .
O1 Gd1 N6 70.56(12) . .
O2 Gd1 N6 118.68(12) . .
O5 Gd1 N6 62.72(11) . .
O9 Gd1 N6 125.83(11) . .
O4 Gd1 N6 70.83(11) 3_656 .
O12 Gd1 N6 129.18(12) . .
N1 Gd1 N6 130.63(12) . .
O1 Gd1 O11 76.00(11) . .
O2 Gd1 O11 66.74(10) . .
O5 Gd1 O11 73.13(11) . .
O9 Gd1 O11 132.95(10) . .
O4 Gd1 O11 136.40(11) 3_656 .
O12 Gd1 O11 142.57(12) . .
N1 Gd1 O11 71.32(12) . .
N6 Gd1 O11 66.84(11) . .
O1 Gd1 Gd2 131.47(8) . 3_656
O2 Gd1 Gd2 97.40(7) . 3_656
O5 Gd1 Gd2 68.86(8) . 3_656
O9 Gd1 Gd2 34.59(7) . 3_656
O4 Gd1 Gd2 34.21(7) 3_656 3_656
O12 Gd1 Gd2 74.91(9) . 3_656
N1 Gd1 Gd2 133.97(9) . 3_656
N6 Gd1 Gd2 95.40(8) . 3_656
O11 Gd1 Gd2 141.99(8) . 3_656
O1 Gd1 Gd2 147.85(9) . .
O2 Gd1 Gd2 34.20(7) . .
O5 Gd1 Gd2 33.92(7) . .
O9 Gd1 Gd2 62.64(7) . .
O4 Gd1 Gd2 101.50(7) 3_656 .
O12 Gd1 Gd2 129.55(9) . .
N1 Gd1 Gd2 97.08(9) . .
N6 Gd1 Gd2 93.92(9) . .
O11 Gd1 Gd2 71.98(7) . .
Gd2 Gd1 Gd2 76.348(9) 3_656 .
O4 Gd2 O8 75.95(11) . .
O4 Gd2 O9 72.02(11) . 3_656
O8 Gd2 O9 124.24(12) . 3_656
O4 Gd2 O7 135.91(12) . .
O8 Gd2 O7 73.47(12) . .
O9 Gd2 O7 152.05(12) 3_656 .
O4 Gd2 O5 114.03(11) . .
O8 Gd2 O5 144.61(12) . .
O9 Gd2 O5 90.56(11) 3_656 .
O7 Gd2 O5 77.45(11) . .
O4 Gd2 O2 145.97(10) . .
O8 Gd2 O2 124.64(11) . .
O9 Gd2 O2 73.96(10) 3_656 .
O7 Gd2 O2 78.11(11) . .
O5 Gd2 O2 66.70(10) . .
O4 Gd2 N4 70.56(12) . .
O8 Gd2 N4 93.20(13) . .
O9 Gd2 N4 116.48(11) 3_656 .
O7 Gd2 N4 80.22(12) . .
O5 Gd2 N4 61.99(11) . .
O2 Gd2 N4 127.36(12) . .
O4 Gd2 N3 112.05(12) . .
O8 Gd2 N3 70.69(13) . .
O9 Gd2 N3 80.71(11) 3_656 .
O7 Gd2 N3 86.70(12) . .
O5 Gd2 N3 127.46(11) . .
O2 Gd2 N3 61.07(12) . .
N4 Gd2 N3 161.70(12) . .
O4 Gd2 Gd1 36.51(8) . 3_656
O8 Gd2 Gd1 105.96(8) . 3_656
O9 Gd2 Gd1 36.50(7) 3_656 3_656
O7 Gd2 Gd1 169.32(9) . 3_656
O5 Gd2 Gd1 98.92(8) . 3_656
O2 Gd2 Gd1 109.90(7) . 3_656
N4 Gd2 Gd1 89.20(8) . 3_656
N3 Gd2 Gd1 103.28(9) . 3_656
O4 Gd2 Gd1 132.54(8) . .
O8 Gd2 Gd1 151.47(8) . .
O9 Gd2 Gd1 74.80(8) 3_656 .
O7 Gd2 Gd1 81.54(9) . .
O5 Gd2 Gd1 33.95(7) . .
O2 Gd2 Gd1 33.76(7) . .
N4 Gd2 Gd1 95.94(9) . .
N3 Gd2 Gd1 94.71(9) . .
Gd1 Gd2 Gd1 101.143(9) 3_656 .
C1 O1 Gd1 137.2(3) . .
C9 O2 Gd1 120.6(3) . .
C9 O2 Gd2 127.2(3) . .
Gd1 O2 Gd2 112.03(12) . .
N3 O3 H3 109.5 . .
C12 O4 Gd2 122.9(3) . .
C12 O4 Gd1 127.4(3) . 3_656
Gd2 O4 Gd1 109.28(12) . 3_656
C20 O5 Gd2 119.6(3) . .
C20 O5 Gd1 124.5(3) . .
Gd2 O5 Gd1 112.13(12) . .
N6 O6 H6 109.5 . .
C24 O7 Gd2 132.0(3) . .
C26 O8 Gd2 132.9(3) . .
C28 O9 Gd2 119.4(2) . 3_656
C28 O9 Gd1 125.59(17) . .
Gd2 O9 Gd1 108.91(12) 3_656 .
C29 O11 Gd1 132.2(3) . .
C29 O11 H11 113.9 . .
Gd1 O11 H11 113.9 . .
C30 O12 Gd1 135.3(4) . .
C30 O12 H12 112.4 . .
Gd1 O12 H12 112.4 . .
C7 N1 N2 112.4(4) . .
C7 N1 Gd1 129.1(3) . .
N2 N1 Gd1 118.3(3) . .
C9 N2 N1 110.2(4) . .
C10 N3 O3 115.2(4) . .
C10 N3 Gd2 123.5(3) . .
O3 N3 Gd2 121.3(3) . .
C18 N4 N5 114.6(4) . .
C18 N4 Gd2 125.8(3) . .
N5 N4 Gd2 118.9(3) . .
C20 N5 N4 108.7(4) . .
C21 N6 O6 116.3(4) . .
C21 N6 Gd1 122.9(3) . .
O6 N6 Gd1 120.8(3) . .
O10 C28 O9 121.0(3) . 3_656
O10 C28 O9 121.0(3) . .
O9 C28 O9 118.0(6) 3_656 .
O1 C1 C2 119.3(5) . .
O1 C1 C6 124.2(4) . .
C2 C1 C6 116.5(5) . .
C3 C2 C1 122.8(5) . .
C3 C2 H2 118.6 . .
C1 C2 H2 118.6 . .
C2 C3 C4 121.1(5) . .
C2 C3 H3A 119.4 . .
C4 C3 H3A 119.4 . .
C3 C4 C5 117.5(5) . .
C3 C4 C8 121.2(5) . .
C5 C4 C8 121.3(5) . .
C4 C5 C6 122.7(5) . .
C4 C5 H5 118.7 . .
C6 C5 H5 118.7 . .
C5 C6 C1 119.3(5) . .
C5 C6 C7 115.8(5) . .
C1 C6 C7 124.9(4) . .
N1 C7 C6 126.3(5) . .
N1 C7 H7 116.9 . .
C6 C7 H7 116.9 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 O2 125.7(4) . .
N2 C9 C10 118.1(4) . .
O2 C9 C10 116.2(4) . .
N3 C10 C11 125.2(5) . .
N3 C10 C9 111.6(4) . .
C11 C10 C9 123.2(5) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O4 C12 C13 120.7(4) . .
O4 C12 C17 122.3(4) . .
C13 C12 C17 117.0(4) . .
C14 C13 C12 121.6(5) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
C13 C14 C15 122.6(5) . .
C13 C14 H14 118.7 . .
C15 C14 H14 118.7 . .
C16 C15 C14 115.8(5) . .
C16 C15 C19 122.9(5) . .
C14 C15 C19 121.4(5) . .
C15 C16 C17 124.0(5) . .
C15 C16 H16 118.0 . .
C17 C16 H16 118.0 . .
C16 C17 C18 117.7(4) . .
C16 C17 C12 119.1(4) . .
C18 C17 C12 123.2(4) . .
N4 C18 C17 125.1(5) . .
N4 C18 H18 117.5 . .
C17 C18 H18 117.5 . .
C15 C19 H19A 109.5 . .
C15 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C15 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N5 C20 O5 125.2(4) . .
N5 C20 C21 117.1(4) . .
O5 C20 C21 117.6(4) . .
N6 C21 C22 124.3(5) . .
N6 C21 C20 112.1(4) . .
C22 C21 C20 123.6(5) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C24 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O7 C24 C25 125.0(5) . .
O7 C24 C23 116.0(5) . .
C25 C24 C23 119.0(5) . .
C24 C25 C26 126.4(5) . .
C24 C25 H25 116.8 . .
C26 C25 H25 116.8 . .
O8 C26 C25 123.5(5) . .
O8 C26 C27 116.6(5) . .
C25 C26 C27 119.9(5) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O11 C29 H29A 109.5 . .
O11 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O11 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O12 C30 H30A 109.5 . .
O12 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
O12 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C31 O13 H13A 109.5 . .
O13 C31 H31A 109.5 . .
O13 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
O13 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Cl1 C32 Cl1 116.2(10) 3_655 .
Cl1 C32 H32A 108.2 3_655 .
Cl1 C32 H32A 108.2 . .
Cl1 C32 H32B 108.2 3_655 .
Cl1 C32 H32B 108.2 . .
H32A C32 H32B 107.4 . .
Cl2 C33 Cl2 112.6(6) . 4_567
Cl2 C33 H33A 109.1 . .
Cl2 C33 H33A 109.1 4_567 .
Cl2 C33 H33B 109.1 . .
Cl2 C33 H33B 109.1 4_567 .
H33A C33 H33B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.259(3) .
Gd1 O2 2.374(3) .
Gd1 O5 2.388(3) .
Gd1 O9 2.463(3) .
Gd1 O4 2.469(3) 3_656
Gd1 O12 2.471(4) .
Gd1 N1 2.514(4) .
Gd1 N6 2.546(4) .
Gd1 O11 2.581(3) .
Gd1 Gd2 3.9166(5) 3_656
Gd1 Gd2 3.9603(7) .
Gd2 O4 2.333(3) .
Gd2 O8 2.340(3) .
Gd2 O9 2.350(3) 3_656
Gd2 O7 2.361(3) .
Gd2 O5 2.386(3) .
Gd2 O2 2.402(3) .
Gd2 N4 2.513(4) .
Gd2 N3 2.586(4) .
Gd2 Gd1 3.9168(5) 3_656
O1 C1 1.319(6) .
O2 C9 1.301(6) .
O3 N3 1.397(5) .
O3 H3 0.8400 .
O4 C12 1.340(6) .
O4 Gd1 2.469(3) 3_656
O5 C20 1.306(5) .
O6 N6 1.375(5) .
O6 H6 0.8400 .
O7 C24 1.283(6) .
O8 C26 1.275(6) .
O9 C28 1.305(5) .
O9 Gd2 2.350(3) 3_656
O10 C28 1.245(8) .
O11 C29 1.400(6) .
O11 H11 0.9500 .
O12 C30 1.416(7) .
O12 H12 0.9500 .
N1 C7 1.289(6) .
N1 N2 1.423(5) .
N2 C9 1.298(6) .
N3 C10 1.283(6) .
N4 C18 1.289(6) .
N4 N5 1.421(5) .
N5 C20 1.301(6) .
N6 C21 1.275(6) .
C28 O9 1.305(5) 3_656
C1 C2 1.401(7) .
C1 C6 1.419(7) .
C2 C3 1.373(7) .
C2 H2 0.9500 .
C3 C4 1.379(8) .
C3 H3A 0.9500 .
C4 C5 1.386(7) .
C4 C8 1.508(7) .
C5 C6 1.401(7) .
C5 H5 0.9500 .
C6 C7 1.459(7) .
C7 H7 0.9500 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.488(7) .
C10 C11 1.474(7) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.393(7) .
C12 C17 1.429(6) .
C13 C14 1.379(7) .
C13 H13 0.9500 .
C14 C15 1.401(7) .
C14 H14 0.9500 .
C15 C16 1.371(7) .
C15 C19 1.512(7) .
C16 C17 1.401(7) .
C16 H16 0.9500 .
C17 C18 1.425(7) .
C18 H18 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.486(7) .
C21 C22 1.478(7) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.516(8) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.380(8) .
C25 C26 1.390(8) .
C25 H25 0.9500 .
C26 C27 1.501(8) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
O13 C31 1.407(7) .
O13 H13A 0.8400 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
Cl1 C32 1.686(8) .
C32 Cl1 1.686(8) 3_655
C32 H32A 0.9900 .
C32 H32B 0.9900 .
Cl2 C33 1.747(6) .
C33 Cl2 1.747(6) 4_567
C33 H33A 0.9900 .
C33 H33B 0.9900 .
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
O6 H6 O1 0.84 2.01 2.690(5) 136.8 .
O11 H11 O7 0.95 2.03 2.829(5) 141.1 .
O12 H12 O13 0.95 1.92 2.671(6) 133.8 3_656
O13 H13A O10 0.84 2.05 2.662(4) 129.7 .
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 Gd2 O4 149.16(18) . .
O2 Gd1 Gd2 O4 -130.63(17) . .
O5 Gd1 Gd2 O4 68.05(17) . .
O9 Gd1 Gd2 O4 -38.35(13) . .
O4 Gd1 Gd2 O4 19.13(7) 3_656 .
O12 Gd1 Gd2 O4 -61.03(16) . .
N1 Gd1 Gd2 O4 -137.88(14) . .
N6 Gd1 Gd2 O4 90.35(13) . .
O11 Gd1 Gd2 O4 154.44(14) . .
Gd2 Gd1 Gd2 O4 -4.26(10) 3_656 .
O1 Gd1 Gd2 O8 -27.8(2) . .
O2 Gd1 Gd2 O8 52.4(2) . .
O5 Gd1 Gd2 O8 -108.9(2) . .
O9 Gd1 Gd2 O8 144.7(2) . .
O4 Gd1 Gd2 O8 -157.8(2) 3_656 .
O12 Gd1 Gd2 O8 122.0(2) . .
N1 Gd1 Gd2 O8 45.2(2) . .
N6 Gd1 Gd2 O8 -86.6(2) . .
O11 Gd1 Gd2 O8 -22.5(2) . .
Gd2 Gd1 Gd2 O8 178.78(19) 3_656 .
O1 Gd1 Gd2 O9 -163.95(17) . 3_656
O2 Gd1 Gd2 O9 -83.74(15) . 3_656
O5 Gd1 Gd2 O9 114.95(16) . 3_656
O9 Gd1 Gd2 O9 8.54(8) . 3_656
O4 Gd1 Gd2 O9 66.02(10) 3_656 3_656
O12 Gd1 Gd2 O9 -14.14(13) . 3_656
N1 Gd1 Gd2 O9 -90.99(12) . 3_656
N6 Gd1 Gd2 O9 137.24(11) . 3_656
O11 Gd1 Gd2 O9 -158.67(11) . 3_656
Gd2 Gd1 Gd2 O9 42.63(7) 3_656 3_656
O1 Gd1 Gd2 O7 1.03(17) . .
O2 Gd1 Gd2 O7 81.24(16) . .
O5 Gd1 Gd2 O7 -80.07(17) . .
O9 Gd1 Gd2 O7 173.53(11) . .
O4 Gd1 Gd2 O7 -129.00(11) 3_656 .
O12 Gd1 Gd2 O7 150.84(14) . .
N1 Gd1 Gd2 O7 74.00(13) . .
N6 Gd1 Gd2 O7 -57.78(12) . .
O11 Gd1 Gd2 O7 6.32(12) . .
Gd2 Gd1 Gd2 O7 -152.38(9) 3_656 .
O1 Gd1 Gd2 O5 81.1(2) . .
O2 Gd1 Gd2 O5 161.31(19) . .
O9 Gd1 Gd2 O5 -106.40(16) . .
O4 Gd1 Gd2 O5 -48.93(16) 3_656 .
O12 Gd1 Gd2 O5 -129.09(18) . .
N1 Gd1 Gd2 O5 154.07(17) . .
N6 Gd1 Gd2 O5 22.29(16) . .
O11 Gd1 Gd2 O5 86.39(17) . .
Gd2 Gd1 Gd2 O5 -72.31(14) 3_656 .
O1 Gd1 Gd2 O2 -80.2(2) . .
O5 Gd1 Gd2 O2 -161.31(19) . .
O9 Gd1 Gd2 O2 92.29(15) . .
O4 Gd1 Gd2 O2 149.76(15) 3_656 .
O12 Gd1 Gd2 O2 69.60(17) . .
N1 Gd1 Gd2 O2 -7.24(16) . .
N6 Gd1 Gd2 O2 -139.02(15) . .
O11 Gd1 Gd2 O2 -74.92(15) . .
Gd2 Gd1 Gd2 O2 126.37(13) 3_656 .
O1 Gd1 Gd2 N4 80.18(17) . .
O2 Gd1 Gd2 N4 160.39(15) . .
O5 Gd1 Gd2 N4 -0.92(16) . .
O9 Gd1 Gd2 N4 -107.32(11) . .
O4 Gd1 Gd2 N4 -49.85(11) 3_656 .
O12 Gd1 Gd2 N4 -130.01(14) . .
N1 Gd1 Gd2 N4 153.15(12) . .
N6 Gd1 Gd2 N4 21.38(12) . .
O11 Gd1 Gd2 N4 85.47(11) . .
Gd2 Gd1 Gd2 N4 -73.23(8) 3_656 .
O1 Gd1 Gd2 N3 -84.92(18) . .
O2 Gd1 Gd2 N3 -4.71(16) . .
O5 Gd1 Gd2 N3 -166.02(17) . .
O9 Gd1 Gd2 N3 87.58(12) . .
O4 Gd1 Gd2 N3 145.06(11) 3_656 .
O12 Gd1 Gd2 N3 64.90(15) . .
N1 Gd1 Gd2 N3 -11.95(13) . .
N6 Gd1 Gd2 N3 -143.72(12) . .
O11 Gd1 Gd2 N3 -79.63(12) . .
Gd2 Gd1 Gd2 N3 121.67(9) 3_656 .
O1 Gd1 Gd2 Gd1 170.54(15) . 3_656
O2 Gd1 Gd2 Gd1 -109.25(13) . 3_656
O5 Gd1 Gd2 Gd1 89.44(14) . 3_656
O9 Gd1 Gd2 Gd1 -16.96(8) . 3_656
O4 Gd1 Gd2 Gd1 40.51(7) 3_656 3_656
O12 Gd1 Gd2 Gd1 -39.65(11) . 3_656
N1 Gd1 Gd2 Gd1 -116.49(9) . 3_656
N6 Gd1 Gd2 Gd1 111.73(8) . 3_656
O11 Gd1 Gd2 Gd1 175.83(8) . 3_656
Gd2 Gd1 Gd2 Gd1 17.126(9) 3_656 3_656
O2 Gd1 O1 C1 53.2(5) . .
O5 Gd1 O1 C1 146.9(4) . .
O9 Gd1 O1 C1 -67.0(5) . .
O4 Gd1 O1 C1 -129.6(4) 3_656 .
O12 Gd1 O1 C1 -56.8(4) . .
N1 Gd1 O1 C1 20.7(4) . .
N6 Gd1 O1 C1 164.8(5) . .
O11 Gd1 O1 C1 94.8(4) . .
Gd2 Gd1 O1 C1 -115.5(4) 3_656 .
Gd2 Gd1 O1 C1 100.0(4) . .
O1 Gd1 O2 C9 -47.1(4) . .
O5 Gd1 O2 C9 -172.3(3) . .
O9 Gd1 O2 C9 104.5(3) . .
O4 Gd1 O2 C9 136.5(3) 3_656 .
O12 Gd1 O2 C9 47.7(3) . .
N1 Gd1 O2 C9 -11.6(3) . .
N6 Gd1 O2 C9 -135.3(3) . .
O11 Gd1 O2 C9 -91.6(3) . .
Gd2 Gd1 O2 C9 124.4(3) 3_656 .
Gd2 Gd1 O2 C9 176.5(4) . .
O1 Gd1 O2 Gd2 136.40(13) . .
O5 Gd1 O2 Gd2 11.19(12) . .
O9 Gd1 O2 Gd2 -72.04(12) . .
O4 Gd1 O2 Gd2 -40.00(19) 3_656 .
O12 Gd1 O2 Gd2 -128.76(13) . .
N1 Gd1 O2 Gd2 171.94(18) . .
N6 Gd1 O2 Gd2 48.23(16) . .
O11 Gd1 O2 Gd2 91.91(14) . .
Gd2 Gd1 O2 Gd2 -52.09(11) 3_656 .
O4 Gd2 O2 C9 -88.6(4) . .
O8 Gd2 O2 C9 31.2(4) . .
O9 Gd2 O2 C9 -89.7(3) 3_656 .
O7 Gd2 O2 C9 91.2(3) . .
O5 Gd2 O2 C9 172.6(4) . .
N4 Gd2 O2 C9 159.0(3) . .
N3 Gd2 O2 C9 -1.6(3) . .
Gd1 Gd2 O2 C9 -96.1(3) 3_656 .
Gd1 Gd2 O2 C9 -176.2(4) . .
O4 Gd2 O2 Gd1 87.6(2) . .
O8 Gd2 O2 Gd1 -152.62(12) . .
O9 Gd2 O2 Gd1 86.52(13) 3_656 .
O7 Gd2 O2 Gd1 -92.55(14) . .
O5 Gd2 O2 Gd1 -11.24(12) . .
N4 Gd2 O2 Gd1 -24.83(18) . .
N3 Gd2 O2 Gd1 174.64(18) . .
Gd1 Gd2 O2 Gd1 80.11(12) 3_656 .
O8 Gd2 O4 C12 42.4(3) . .
O9 Gd2 O4 C12 176.1(3) 3_656 .
O7 Gd2 O4 C12 -4.8(4) . .
O5 Gd2 O4 C12 -101.6(3) . .
O2 Gd2 O4 C12 175.0(3) . .
N4 Gd2 O4 C12 -56.2(3) . .
N3 Gd2 O4 C12 104.4(3) . .
Gd1 Gd2 O4 C12 -173.1(4) 3_656 .
Gd1 Gd2 O4 C12 -136.1(3) . .
O8 Gd2 O4 Gd1 -144.53(15) . 3_656
O9 Gd2 O4 Gd1 -10.82(11) 3_656 3_656
O7 Gd2 O4 Gd1 168.31(13) . 3_656
O5 Gd2 O4 Gd1 71.52(15) . 3_656
O2 Gd2 O4 Gd1 -11.9(2) . 3_656
N4 Gd2 O4 Gd1 116.88(15) . 3_656
N3 Gd2 O4 Gd1 -82.50(15) . 3_656
Gd1 Gd2 O4 Gd1 36.97(17) . 3_656
O4 Gd2 O5 C20 69.2(3) . .
O8 Gd2 O5 C20 -30.5(4) . .
O9 Gd2 O5 C20 139.7(3) 3_656 .
O7 Gd2 O5 C20 -65.7(3) . .
O2 Gd2 O5 C20 -148.0(3) . .
N4 Gd2 O5 C20 19.7(3) . .
N3 Gd2 O5 C20 -141.6(3) . .
Gd1 Gd2 O5 C20 104.0(3) 3_656 .
Gd1 Gd2 O5 C20 -159.2(4) . .
O4 Gd2 O5 Gd1 -131.57(12) . .
O8 Gd2 O5 Gd1 128.72(17) . .
O9 Gd2 O5 Gd1 -61.05(14) 3_656 .
O7 Gd2 O5 Gd1 93.49(15) . .
O2 Gd2 O5 Gd1 11.18(11) . .
N4 Gd2 O5 Gd1 178.97(18) . .
N3 Gd2 O5 Gd1 17.7(2) . .
Gd1 Gd2 O5 Gd1 -96.74(12) 3_656 .
O1 Gd1 O5 C20 22.2(4) . .
O2 Gd1 O5 C20 146.8(4) . .
O9 Gd1 O5 C20 -140.6(3) . .
O4 Gd1 O5 C20 -70.8(3) 3_656 .
O12 Gd1 O5 C20 -116.6(3) . .
N1 Gd1 O5 C20 125.2(3) . .
N6 Gd1 O5 C20 3.2(3) . .
O11 Gd1 O5 C20 75.4(3) . .
Gd2 Gd1 O5 C20 -105.0(3) 3_656 .
Gd2 Gd1 O5 C20 158.0(4) . .
O1 Gd1 O5 Gd2 -135.81(13) . .
O2 Gd1 O5 Gd2 -11.28(12) . .
O9 Gd1 O5 Gd2 61.40(13) . .
O4 Gd1 O5 Gd2 131.14(15) 3_656 .
O12 Gd1 O5 Gd2 85.4(2) . .
N1 Gd1 O5 Gd2 -32.9(2) . .
N6 Gd1 O5 Gd2 -154.80(18) . .
O11 Gd1 O5 Gd2 -82.62(14) . .
Gd2 Gd1 O5 Gd2 96.97(12) 3_656 .
O4 Gd2 O7 C24 26.1(5) . .
O8 Gd2 O7 C24 -21.8(4) . .
O9 Gd2 O7 C24 -155.7(4) 3_656 .
O5 Gd2 O7 C24 137.8(5) . .
O2 Gd2 O7 C24 -153.8(5) . .
N4 Gd2 O7 C24 74.5(5) . .
N3 Gd2 O7 C24 -92.6(5) . .
Gd1 Gd2 O7 C24 66.7(7) 3_656 .
Gd1 Gd2 O7 C24 172.1(5) . .
O4 Gd2 O8 C26 -120.2(4) . .
O9 Gd2 O8 C26 -176.4(4) 3_656 .
O7 Gd2 O8 C26 27.7(4) . .
O5 Gd2 O8 C26 -8.3(5) . .
O2 Gd2 O8 C26 89.9(4) . .
N4 Gd2 O8 C26 -51.1(4) . .
N3 Gd2 O8 C26 120.0(4) . .
Gd1 Gd2 O8 C26 -141.2(4) 3_656 .
Gd1 Gd2 O8 C26 57.5(5) . .
O1 Gd1 O9 C28 126.6(4) . .
O2 Gd1 O9 C28 -8.6(4) . .
O5 Gd1 O9 C28 -79.1(4) . .
O4 Gd1 O9 C28 -162.5(4) 3_656 .
O12 Gd1 O9 C28 115.9(4) . .
N1 Gd1 O9 C28 46.3(4) . .
N6 Gd1 O9 C28 -119.5(4) . .
O11 Gd1 O9 C28 -28.9(4) . .
Gd2 Gd1 O9 C28 -152.0(5) 3_656 .
Gd2 Gd1 O9 C28 -45.6(4) . .
O1 Gd1 O9 Gd2 -81.4(2) . 3_656
O2 Gd1 O9 Gd2 143.42(15) . 3_656
O5 Gd1 O9 Gd2 72.92(12) . 3_656
O4 Gd1 O9 Gd2 -10.50(11) 3_656 3_656
O12 Gd1 O9 Gd2 -92.03(14) . 3_656
N1 Gd1 O9 Gd2 -161.61(13) . 3_656
N6 Gd1 O9 Gd2 32.58(18) . 3_656
O11 Gd1 O9 Gd2 123.11(14) . 3_656
Gd2 Gd1 O9 Gd2 106.40(12) . 3_656
O1 Gd1 O11 C29 18.6(5) . .
O2 Gd1 O11 C29 165.3(5) . .
O5 Gd1 O11 C29 -122.9(5) . .
O9 Gd1 O11 C29 -174.1(5) . .
O4 Gd1 O11 C29 -70.7(5) 3_656 .
O12 Gd1 O11 C29 68.9(5) . .
N1 Gd1 O11 C29 97.2(5) . .
N6 Gd1 O11 C29 -56.0(5) . .
Gd2 Gd1 O11 C29 -123.5(5) 3_656 .
Gd2 Gd1 O11 C29 -158.5(5) . .
O1 Gd1 O12 C30 0.8(5) . .
O2 Gd1 O12 C30 -128.7(5) . .
O5 Gd1 O12 C30 150.5(5) . .
O9 Gd1 O12 C30 175.3(6) . .
O4 Gd1 O12 C30 103.9(6) 3_656 .
N1 Gd1 O12 C30 -76.2(6) . .
N6 Gd1 O12 C30 54.7(6) . .
O11 Gd1 O12 C30 -48.6(6) . .
Gd2 Gd1 O12 C30 139.3(6) 3_656 .
Gd2 Gd1 O12 C30 -163.4(5) . .
O1 Gd1 N1 C7 -9.7(4) . .
O2 Gd1 N1 C7 -162.5(5) . .
O5 Gd1 N1 C7 -140.2(4) . .
O9 Gd1 N1 C7 138.6(4) . .
O4 Gd1 N1 C7 73.1(5) 3_656 .
O12 Gd1 N1 C7 72.9(4) . .
N6 Gd1 N1 C7 -56.6(5) . .
O11 Gd1 N1 C7 -89.7(4) . .
Gd2 Gd1 N1 C7 124.2(4) 3_656 .
Gd2 Gd1 N1 C7 -158.0(4) . .
O1 Gd1 N1 N2 165.0(3) . .
O2 Gd1 N1 N2 12.3(3) . .
O5 Gd1 N1 N2 34.6(4) . .
O9 Gd1 N1 N2 -46.6(3) . .
O4 Gd1 N1 N2 -112.1(3) 3_656 .
O12 Gd1 N1 N2 -112.3(3) . .
N6 Gd1 N1 N2 118.2(3) . .
O11 Gd1 N1 N2 85.1(3) . .
Gd2 Gd1 N1 N2 -61.0(3) 3_656 .
Gd2 Gd1 N1 N2 16.8(3) . .
C7 N1 N2 C9 163.7(4) . .
Gd1 N1 N2 C9 -11.9(5) . .
O4 Gd2 N3 C10 139.9(4) . .
O8 Gd2 N3 C10 -154.8(4) . .
O9 Gd2 N3 C10 73.7(4) 3_656 .
O7 Gd2 N3 C10 -81.2(4) . .
O5 Gd2 N3 C10 -9.8(4) . .
O2 Gd2 N3 C10 -3.0(4) . .
N4 Gd2 N3 C10 -125.4(5) . .
Gd1 Gd2 N3 C10 102.6(4) 3_656 .
Gd1 Gd2 N3 C10 0.0(4) . .
O4 Gd2 N3 O3 -37.1(3) . .
O8 Gd2 N3 O3 28.1(3) . .
O9 Gd2 N3 O3 -103.3(3) 3_656 .
O7 Gd2 N3 O3 101.8(3) . .
O5 Gd2 N3 O3 173.2(3) . .
O2 Gd2 N3 O3 -180.0(4) . .
N4 Gd2 N3 O3 57.6(6) . .
Gd1 Gd2 N3 O3 -74.4(3) 3_656 .
Gd1 Gd2 N3 O3 -177.0(3) . .
O4 Gd2 N4 C18 39.1(4) . .
O8 Gd2 N4 C18 -34.8(4) . .
O9 Gd2 N4 C18 96.4(4) 3_656 .
O7 Gd2 N4 C18 -107.4(4) . .
O5 Gd2 N4 C18 171.7(4) . .
O2 Gd2 N4 C18 -174.1(3) . .
N3 Gd2 N4 C18 -62.4(6) . .
Gd1 Gd2 N4 C18 71.2(4) 3_656 .
Gd1 Gd2 N4 C18 172.3(4) . .
O4 Gd2 N4 N5 -151.8(3) . .
O8 Gd2 N4 N5 134.3(3) . .
O9 Gd2 N4 N5 -94.6(3) 3_656 .
O7 Gd2 N4 N5 61.7(3) . .
O5 Gd2 N4 N5 -19.2(3) . .
O2 Gd2 N4 N5 -5.0(3) . .
N3 Gd2 N4 N5 106.7(5) . .
Gd1 Gd2 N4 N5 -119.7(3) 3_656 .
Gd1 Gd2 N4 N5 -18.6(3) . .
C18 N4 N5 C20 -173.1(4) . .
Gd2 N4 N5 C20 16.6(4) . .
O1 Gd1 N6 C21 -169.8(4) . .
O2 Gd1 N6 C21 -43.6(4) . .
O5 Gd1 N6 C21 -4.9(3) . .
O9 Gd1 N6 C21 40.0(4) . .
O4 Gd1 N6 C21 82.1(3) 3_656 .
O12 Gd1 N6 C21 132.8(3) . .
N1 Gd1 N6 C21 -121.5(3) . .
O11 Gd1 N6 C21 -87.2(3) . .
Gd2 Gd1 N6 C21 57.9(3) 3_656 .
Gd2 Gd1 N6 C21 -18.7(3) . .
O1 Gd1 N6 O6 11.1(3) . .
O2 Gd1 N6 O6 137.4(3) . .
O5 Gd1 N6 O6 176.0(3) . .
O9 Gd1 N6 O6 -139.0(3) . .
O4 Gd1 N6 O6 -96.9(3) 3_656 .
O12 Gd1 N6 O6 -46.2(3) . .
N1 Gd1 N6 O6 59.5(3) . .
O11 Gd1 N6 O6 93.8(3) . .
Gd2 Gd1 N6 O6 -121.1(3) 3_656 .
Gd2 Gd1 N6 O6 162.3(3) . .
Gd2 O9 C28 O10 117.53(19) 3_656 .
Gd1 O9 C28 O10 -93.1(3) . .
Gd2 O9 C28 O9 -62.47(19) 3_656 3_656
Gd1 O9 C28 O9 86.9(3) . 3_656
Gd1 O1 C1 C2 163.1(4) . .
Gd1 O1 C1 C6 -19.6(8) . .
O1 C1 C2 C3 -178.3(5) . .
C6 C1 C2 C3 4.1(8) . .
C1 C2 C3 C4 -3.1(9) . .
C2 C3 C4 C5 -0.1(8) . .
C2 C3 C4 C8 179.3(5) . .
C3 C4 C5 C6 1.9(8) . .
C8 C4 C5 C6 -177.4(5) . .
C4 C5 C6 C1 -0.8(8) . .
C4 C5 C6 C7 -178.6(5) . .
O1 C1 C6 C5 -179.6(5) . .
C2 C1 C6 C5 -2.2(7) . .
O1 C1 C6 C7 -2.0(8) . .
C2 C1 C6 C7 175.4(5) . .
N2 N1 C7 C6 -176.0(5) . .
Gd1 N1 C7 C6 -1.0(8) . .
C5 C6 C7 N1 -171.3(5) . .
C1 C6 C7 N1 11.0(9) . .
N1 N2 C9 O2 1.3(7) . .
N1 N2 C9 C10 -177.1(4) . .
Gd1 O2 C9 N2 10.8(6) . .
Gd2 O2 C9 N2 -173.2(4) . .
Gd1 O2 C9 C10 -170.7(3) . .
Gd2 O2 C9 C10 5.2(6) . .
O3 N3 C10 C11 2.6(7) . .
Gd2 N3 C10 C11 -174.5(4) . .
O3 N3 C10 C9 -176.7(4) . .
Gd2 N3 C10 C9 6.1(6) . .
N2 C9 C10 N3 171.6(4) . .
O2 C9 C10 N3 -7.0(6) . .
N2 C9 C10 C11 -7.8(7) . .
O2 C9 C10 C11 173.7(4) . .
Gd2 O4 C12 C13 -130.4(4) . .
Gd1 O4 C12 C13 57.8(5) 3_656 .
Gd2 O4 C12 C17 51.3(5) . .
Gd1 O4 C12 C17 -120.5(4) 3_656 .
O4 C12 C13 C14 -178.1(4) . .
C17 C12 C13 C14 0.3(7) . .
C12 C13 C14 C15 -0.3(8) . .
C13 C14 C15 C16 0.7(7) . .
C13 C14 C15 C19 -180.0(5) . .
C14 C15 C16 C17 -1.1(7) . .
C19 C15 C16 C17 179.5(5) . .
C15 C16 C17 C18 178.0(5) . .
C15 C16 C17 C12 1.2(7) . .
O4 C12 C17 C16 177.7(4) . .
C13 C12 C17 C16 -0.7(7) . .
O4 C12 C17 C18 1.1(7) . .
C13 C12 C17 C18 -177.3(5) . .
N5 N4 C18 C17 176.9(4) . .
Gd2 N4 C18 C17 -13.6(7) . .
C16 C17 C18 N4 163.9(5) . .
C12 C17 C18 N4 -19.4(8) . .
N4 N5 C20 O5 2.1(6) . .
N4 N5 C20 C21 -173.6(3) . .
Gd2 O5 C20 N5 -21.1(6) . .
Gd1 O5 C20 N5 -177.6(3) . .
Gd2 O5 C20 C21 154.6(3) . .
Gd1 O5 C20 C21 -1.9(5) . .
O6 N6 C21 C22 1.9(6) . .
Gd1 N6 C21 C22 -177.2(3) . .
O6 N6 C21 C20 -175.3(3) . .
Gd1 N6 C21 C20 5.7(5) . .
N5 C20 C21 N6 173.5(4) . .
O5 C20 C21 N6 -2.6(5) . .
N5 C20 C21 C22 -3.7(6) . .
O5 C20 C21 C22 -179.8(4) . .
Gd2 O7 C24 C25 11.2(9) . .
Gd2 O7 C24 C23 -170.8(4) . .
O7 C24 C25 C26 9.4(10) . .
C23 C24 C25 C26 -168.6(6) . .
Gd2 O8 C26 C25 -22.3(7) . .
Gd2 O8 C26 C27 158.0(4) . .
C24 C25 C26 O8 -4.0(9) . .
C24 C25 C26 C27 175.7(6) . .
