#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:57:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180524 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/93/7219334.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_7219334
loop_
_publ_author_name
'Liu, Xuan-Wen'
'Guo, Rui'
'Liu, He'
'Yu, Ye-Qi'
'Qi, Wei Xi'
'Xu, Jing-Yuan'
'Xie, Cheng-Zhi'
_publ_section_title
;
 Two series of novel 3D potentially porous heterometallic Cu--Ln
 coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with
 different topologies and channels: syntheses, structures, luminescence
 and magnetic properties
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA13533D
_journal_year                    2015
_chemical_formula_sum            'C168 H344 Cu12 Gd8 N24 O232'
_chemical_formula_weight         8433.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-15 deposited with the CCDC.
2015-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.82(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   13.958(3)
_cell_length_b                   30.682(6)
_cell_length_c                   20.529(4)
_cell_measurement_reflns_used    23671
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8704
_cell_measurement_theta_min      1.6187
_cell_volume                     8688(3)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            65189
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.333
_exptl_absorpt_correction_T_max  0.7210
_exptl_absorpt_correction_T_min  0.6526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4236
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.994
_refine_diff_density_min         -1.892
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1300
_refine_ls_number_reflns         15266
_refine_ls_number_restraints     320
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0712P)²+77.6214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                13292
_reflns_number_total             15266
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra13533d2.cif
_cod_data_source_block           2-Gd
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7219334
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd -0.02419(2) 0.449145(10) 0.625073(16) 0.01345(10) Uani 1 1 d D . .
Gd2 Gd 0.46130(2) 0.310332(11) 1.104373(16) 0.01526(10) Uani 1 1 d . . .
Cu1 Cu 0.50830(5) 0.47799(2) 0.77960(4) 0.01439(18) Uani 1 1 d . . .
Cu2 Cu 0.02668(5) 0.31523(2) 0.88862(4) 0.01003(16) Uani 1 1 d . . .
Cu3 Cu 0.49544(5) 0.15767(2) 0.75737(4) 0.01112(17) Uani 1 1 d . . .
O1 O 0.4008(4) 0.52755(16) 0.8727(2) 0.0248(11) Uani 1 1 d . . .
O2 O 0.4186(3) 0.52825(14) 0.7669(2) 0.0145(9) Uani 1 1 d . . .
O3 O 0.4615(3) 0.61977(15) 0.8461(2) 0.0190(10) Uani 1 1 d . . .
O4 O 0.3766(3) 0.68051(14) 0.8332(2) 0.0164(10) Uani 1 1 d . . .
O5 O 0.0674(3) 0.44881(14) 0.7400(2) 0.0168(10) Uani 1 1 d . . .
O6 O 0.1417(3) 0.42100(17) 0.6620(2) 0.0246(11) Uani 1 1 d . . .
O7 O 0.0996(3) 0.35348(15) 0.7824(2) 0.0216(11) Uani 1 1 d . . .
O8 O 0.1245(3) 0.36364(14) 0.8913(2) 0.0162(10) Uani 1 1 d . . .
O9 O -0.2881(4) 0.3453(2) 1.0134(3) 0.0364(14) Uani 1 1 d . . .
O10 O -0.4039(3) 0.35597(19) 0.9272(3) 0.0303(13) Uani 1 1 d . . .
O11 O -0.3987(3) 0.42945(15) 0.7983(3) 0.0224(11) Uani 1 1 d . . .
O12 O -0.3684(4) 0.4538(2) 0.9006(3) 0.0379(14) Uani 1 1 d . . .
O13 O 0.4144(3) 0.20335(14) 0.7910(3) 0.0204(10) Uani 1 1 d . A .
O14 O 0.3920(4) 0.16312(19) 0.8780(3) 0.0357(14) Uani 1 1 d . A .
O15 O 0.4693(3) 0.2505(2) 0.9379(3) 0.0359(14) Uani 1 1 d . . .
O16 O 0.3799(3) 0.27053(17) 1.0149(2) 0.0236(11) Uani 1 1 d . . .
O17 O 0.5833(3) 0.10797(14) 0.7457(2) 0.0182(10) Uani 1 1 d . A .
O18 O 0.6604(3) 0.10931(16) 0.8494(3) 0.0254(11) Uani 1 1 d . A .
O19 O 0.5791(3) 0.01730(15) 0.8211(3) 0.0225(11) Uani 1 1 d . . .
O20 O 0.6688(3) -0.04165(15) 0.8251(3) 0.0274(12) Uani 1 1 d . . .
O21 O 0.3094(3) 0.28166(17) 1.1393(2) 0.0249(11) Uani 1 1 d . . .
O22 O 0.4182(3) 0.30863(14) 1.2189(2) 0.0160(10) Uani 1 1 d . . .
O23 O 0.4084(3) 0.21601(14) 1.2698(2) 0.0187(10) Uani 1 1 d . . .
O24 O 0.4280(3) 0.23350(14) 1.3768(2) 0.0164(10) Uani 1 1 d . . .
O25 O 0.0466(4) 0.31343(17) 0.9984(2) 0.0272(12) Uani 1 1 d D . .
H25A H 0.069(6) 0.3383(11) 1.011(3) 0.033 Uiso 1 1 d D . .
H25B H 0.047(6) 0.2939(15) 1.028(2) 0.033 Uiso 1 1 d D . .
O26 O 0.0561(4) 0.4270(2) 0.5332(3) 0.0407(15) Uani 1 1 d D . .
H26A H 0.011(3) 0.4088(18) 0.520(2) 0.049 Uiso 1 1 d D . .
H26B H 0.113(2) 0.417(2) 0.545(5) 0.049 Uiso 1 1 d D . .
O27 O -0.0373(4) 0.37764(16) 0.6718(3) 0.0296(13) Uani 1 1 d D . .
H27A H -0.089(3) 0.363(2) 0.674(4) 0.036 Uiso 1 1 d D . .
H27B H 0.009(4) 0.374(3) 0.704(3) 0.036 Uiso 1 1 d D . .
O28 O -0.1425(6) 0.4057(3) 0.5558(4) 0.069(3) Uani 1 1 d D . .
H28A H -0.189(6) 0.417(3) 0.573(6) 0.082 Uiso 1 1 d D . .
H28B H -0.149(8) 0.3791(13) 0.544(6) 0.082 Uiso 1 1 d D . .
O29 O -0.1066(4) 0.49330(17) 0.5363(3) 0.0276(12) Uani 1 1 d D . .
H29A H -0.1679(9) 0.493(2) 0.528(4) 0.033 Uiso 1 1 d D . .
H29B H -0.078(4) 0.5135(19) 0.519(4) 0.033 Uiso 1 1 d D . .
O30 O 0.0872(4) 0.50816(17) 0.6167(3) 0.0323(13) Uani 1 1 d D . .
H30A H 0.066(4) 0.5342(9) 0.616(5) 0.039 Uiso 1 1 d D . .
H30B H 0.1477(15) 0.505(2) 0.616(5) 0.039 Uiso 1 1 d D . .
O31 O 0.4771(5) 0.4565(2) 0.6715(3) 0.0386(14) Uani 1 1 d . . .
H31A H 0.438(7) 0.449(3) 0.681(5) 0.046 Uiso 1 1 d D . .
H31B H 0.507(7) 0.467(3) 0.643(5) 0.046 Uiso 1 1 d D . .
O32 O 0.4726(4) 0.35761(18) 1.0128(3) 0.0282(12) Uani 1 1 d D . .
H32A H 0.512(5) 0.350(2) 0.987(3) 0.034 Uiso 1 1 d D . .
H32B H 0.466(6) 0.3847(7) 1.020(4) 0.034 Uiso 1 1 d D . .
O33 O 0.3394(3) 0.36789(18) 1.0997(3) 0.0272(12) Uani 1 1 d D . .
H33A H 0.366(4) 0.3907(15) 1.087(4) 0.033 Uiso 1 1 d D . .
H33B H 0.2782(12) 0.366(2) 1.089(4) 0.033 Uiso 1 1 d D . .
O34 O 0.4966(4) 0.23735(16) 1.1490(3) 0.0295(12) Uani 1 1 d D . .
H34A H 0.516(6) 0.2178(16) 1.125(3) 0.035 Uiso 1 1 d D . .
H34B H 0.483(6) 0.230(2) 1.186(2) 0.035 Uiso 1 1 d D . .
O35 O 0.5863(4) 0.28054(19) 1.0455(3) 0.0301(12) Uani 1 1 d D . .
H35A H 0.635(4) 0.286(2) 1.027(4) 0.036 Uiso 1 1 d D . .
H35B H 0.575(5) 0.2542(8) 1.053(4) 0.036 Uiso 1 1 d D . .
O36 O 0.4800(5) 0.1716(3) 0.6484(4) 0.0227(16) Uani 0.70 1 d P A 1
O36A O 0.4614(12) 0.1957(6) 0.6648(9) 0.021(4) Uani 0.30 1 d P A 2
N1 N 0.1205(3) 0.61873(17) 0.7643(3) 0.0116(11) Uani 1 1 d . . .
N2 N 0.3978(4) 0.44138(17) 0.8019(3) 0.0163(12) Uani 1 1 d . . .
N3 N -0.0855(4) 0.35603(17) 0.8830(3) 0.0126(11) Uani 1 1 d . . .
N4 N 0.1330(4) 0.27399(16) 0.8778(3) 0.0124(11) Uani 1 1 d . . .
N5 N 0.1128(4) 0.30462(17) 1.2775(3) 0.0164(12) Uani 1 1 d . . .
N6 N 0.8829(4) 0.01704(18) 0.7398(3) 0.0190(12) Uani 1 1 d . . .
C1 C 0.3776(4) 0.5402(2) 0.8159(3) 0.0164(14) Uani 1 1 d . . .
C2 C 0.2898(4) 0.5689(2) 0.7980(3) 0.0132(13) Uani 1 1 d . . .
C3 C 0.2009(5) 0.5496(2) 0.7744(4) 0.0195(14) Uani 1 1 d . . .
H3 H 0.1965 0.5188 0.7702 0.023 Uiso 1 1 calc R . .
C4 C 0.1189(4) 0.5749(2) 0.7569(3) 0.0169(14) Uani 1 1 d . . .
H4 H 0.0598 0.5611 0.7391 0.020 Uiso 1 1 calc R . .
C5 C 0.2055(4) 0.6373(2) 0.7891(3) 0.0129(13) Uani 1 1 d . . .
H5 H 0.2067 0.6680 0.7956 0.015 Uiso 1 1 calc R . .
C6 C 0.2922(4) 0.6144(2) 0.8060(3) 0.0128(13) Uani 1 1 d . . .
C7 C 0.3829(4) 0.6396(2) 0.8300(3) 0.0134(13) Uani 1 1 d . . .
C8 C 0.1400(4) 0.4310(2) 0.7209(3) 0.0156(14) Uani 1 1 d . . .
C9 C 0.2303(4) 0.4237(2) 0.7706(3) 0.0144(13) Uani 1 1 d . . .
C10 C 0.3142(4) 0.4442(2) 0.7593(3) 0.0145(13) Uani 1 1 d . . .
H10 H 0.3131 0.4608 0.7202 0.017 Uiso 1 1 calc R . .
C11 C 0.3988(5) 0.4175(2) 0.8566(3) 0.0169(14) Uani 1 1 d . . .
H11 H 0.4575 0.4156 0.8868 0.020 Uiso 1 1 calc R . .
C12 C 0.3181(4) 0.3956(2) 0.8711(4) 0.0185(14) Uani 1 1 d . . .
H12 H 0.3215 0.3793 0.9107 0.022 Uiso 1 1 calc R . .
C13 C 0.2313(4) 0.3977(2) 0.8266(3) 0.0147(13) Uani 1 1 d . . .
C14 C 0.1443(4) 0.37008(19) 0.8341(3) 0.0143(13) Uani 1 1 d . . .
C15 C -0.3179(5) 0.3569(2) 0.9549(3) 0.0204(15) Uani 1 1 d . . .
C16 C -0.2420(4) 0.3705(2) 0.9133(3) 0.0143(13) Uani 1 1 d . . .
C17 C -0.1552(4) 0.3482(2) 0.9205(3) 0.0158(13) Uani 1 1 d . . .
H17 H -0.1439 0.3263 0.9534 0.019 Uiso 1 1 calc R . .
C18 C -0.1011(5) 0.3875(2) 0.8381(4) 0.0228(16) Uani 1 1 d . . .
H18 H -0.0519 0.3941 0.8125 0.027 Uiso 1 1 calc R . .
C19 C -0.1860(5) 0.4109(3) 0.8275(4) 0.0319(19) Uani 1 1 d . . .
H19 H -0.1953 0.4325 0.7940 0.038 Uiso 1 1 calc R . .
C20 C -0.2584(5) 0.4031(2) 0.8657(4) 0.0205(15) Uani 1 1 d . . .
C21 C -0.3488(5) 0.4307(2) 0.8561(4) 0.0225(16) Uani 1 1 d . . .
C22 C 0.3753(5) 0.1955(2) 0.8412(4) 0.0189(15) Uani 1 1 d U . .
C23 C 0.2934(4) 0.2252(2) 0.8541(3) 0.0160(13) Uani 1 1 d . A .
C24 C 0.2063(4) 0.2235(2) 0.8109(3) 0.0182(14) Uani 1 1 d . . .
H24 H 0.2003 0.2057 0.7727 0.022 Uiso 1 1 calc R A .
C25 C 0.1282(5) 0.2482(2) 0.8242(3) 0.0166(13) Uani 1 1 d . A .
H25 H 0.0691 0.2468 0.7945 0.020 Uiso 1 1 calc R . .
C26 C 0.2171(4) 0.2757(2) 0.9194(3) 0.0140(13) Uani 1 1 d . A .
H26 H 0.2211 0.2939 0.9571 0.017 Uiso 1 1 calc R . .
C27 C 0.2986(4) 0.2519(2) 0.9095(3) 0.0137(13) Uani 1 1 d . . .
C28 C 0.3907(4) 0.2575(2) 0.9582(3) 0.0182(14) Uani 1 1 d . A .
C29 C 0.6501(5) 0.0966(2) 0.7909(4) 0.0201(15) Uani 1 1 d . . .
C30 C 0.7281(5) 0.0672(2) 0.7709(4) 0.0201(15) Uani 1 1 d . A .
C31 C 0.8023(5) 0.0855(2) 0.7417(4) 0.0251(16) Uani 1 1 d . . .
H31 H 0.8014 0.1158 0.7319 0.030 Uiso 1 1 calc R A .
C32 C 0.8775(5) 0.0598(2) 0.7268(4) 0.0223(15) Uani 1 1 d . A .
H32 H 0.9270 0.0729 0.7065 0.027 Uiso 1 1 calc R . .
C33 C 0.8117(5) -0.0005(2) 0.7692(4) 0.0188(14) Uani 1 1 d . A .
H33 H 0.8161 -0.0305 0.7806 0.023 Uiso 1 1 calc R . .
C34 C 0.7332(4) 0.0227(2) 0.7836(3) 0.0175(14) Uani 1 1 d . . .
C35 C 0.6548(4) -0.0017(2) 0.8118(3) 0.0174(14) Uani 1 1 d . . .
C36 C 0.3369(5) 0.2916(2) 1.1993(3) 0.0166(14) Uani 1 1 d . . .
C37 C 0.2672(4) 0.2854(2) 1.2474(3) 0.0161(13) Uani 1 1 d . . .
C38 C 0.1767(4) 0.3058(2) 1.2350(3) 0.0163(14) Uani 1 1 d . . .
H38 H 0.1597 0.3212 1.1947 0.020 Uiso 1 1 calc R . .
C39 C 0.1366(5) 0.2824(2) 1.3342(4) 0.0220(15) Uani 1 1 d . . .
H39 H 0.0918 0.2817 1.3647 0.026 Uiso 1 1 calc R . .
C40 C 0.2236(5) 0.2605(2) 1.3499(4) 0.0186(14) Uani 1 1 d . . .
H40 H 0.2376 0.2447 1.3900 0.022 Uiso 1 1 calc R . .
C41 C 0.2904(4) 0.2620(2) 1.3064(3) 0.0147(13) Uani 1 1 d . . .
C42 C 0.3831(4) 0.2353(2) 1.3179(3) 0.0156(14) Uani 1 1 d . . .
O37 O 0.9941(4) 0.41074(16) 0.4042(2) 0.0254(11) Uani 1 1 d U . .
H37A H 0.9567 0.3888 0.3949 0.038 Uiso 1 1 d R . .
H37B H 1.0451 0.4109 0.3858 0.038 Uiso 1 1 d R . .
O38 O 0.9268(4) 0.06087(17) 0.5500(3) 0.0305(12) Uani 1 1 d U . .
H38B H 0.8988 0.0402 0.5270 0.046 Uiso 1 1 d R . .
H38C H 0.9686 0.0538 0.5829 0.046 Uiso 1 1 d R . .
O39 O 0.8214(5) 0.9945(2) 0.4821(3) 0.0492(16) Uani 1 1 d U . .
H39B H 0.7730 1.0113 0.4718 0.074 Uiso 1 1 d R . .
H39C H 0.8215 0.9786 0.5159 0.074 Uiso 1 1 d R . .
O40 O 0.5172(5) 0.0215(2) 0.3608(3) 0.0547(18) Uani 1 1 d U . .
H40A H 0.5079 0.0342 0.4021 0.082 Uiso 1 1 d R . .
H40C H 0.4764 -0.0037 0.3522 0.082 Uiso 1 1 d R . .
O41 O 0.2989(5) 0.1662(2) 0.1765(4) 0.0345(17) Uani 0.75 1 d PU . .
H41A H 0.2844 0.1863 0.2095 0.052 Uiso 0.75 1 d PR . .
H41C H 0.2438 0.1478 0.1631 0.052 Uiso 0.75 1 d PR . .
O42 O 0.6534(6) 0.0354(3) 0.4747(4) 0.0385(19) Uani 0.75 1 d PU B 1
O42A O 0.6161(15) 0.0542(7) 0.4611(10) 0.021(4) Uani 0.25 1 d PU C 2
O43 O 0.6479(5) 0.1099(2) 0.5503(4) 0.0324(17) Uani 0.75 1 d PU D 3
O43A O 0.6489(11) 0.1390(5) 0.5989(8) 0.011(3) Uani 0.25 1 d PU E 4
O44 O 0.4611(6) 0.9391(3) 0.3681(4) 0.0396(19) Uani 0.75 1 d PU F 5
H44D H 0.4751 0.9084 0.3683 0.047 Uiso 0.75 1 d PR F 5
O44A O 0.4776(13) 0.9312(6) 0.4246(9) 0.019(4) Uani 0.25 1 d PU G 6
O45 O 0.3789(6) 0.1074(3) 0.5670(4) 0.0320(19) Uani 0.65 1 d PU H 7
H45A H 0.4031 0.1164 0.6113 0.048 Uiso 0.65 1 d PR H 7
H45B H 0.3551 0.1324 0.5413 0.048 Uiso 0.65 1 d PR H 7
O45A O 0.4073(12) 0.1429(5) 0.5657(8) 0.036(4) Uani 0.35 1 d PU I 8
H45C H 0.4331 0.1511 0.6101 0.053 Uiso 0.35 1 d PR I 8
H45F H 0.3502 0.1255 0.5659 0.053 Uiso 0.35 1 d PR I 8
O46 O 0.9955(7) 0.1926(3) 0.3259(5) 0.052(2) Uani 0.75 1 d PU . .
H46A H 1.0147 0.2062 0.3679 0.078 Uiso 0.75 1 d PR . .
H46C H 0.9381 0.2064 0.3035 0.078 Uiso 0.75 1 d PR . .
O47 O 0.5883(7) 0.9543(3) 0.5269(4) 0.049(2) Uani 0.75 1 d PU . .
O48 O 0.0034(7) 0.1482(3) 0.8349(5) 0.059(3) Uani 0.75 1 d PU . .
H48A H 0.0337 0.1570 0.8781 0.089 Uiso 0.75 1 d PR . .
H48B H -0.0313 0.1724 0.8130 0.089 Uiso 0.75 1 d PR . .
O49 O 0.1327(7) 0.1291(3) 0.1953(5) 0.057(2) Uani 0.75 1 d PU J 1
H49C H 0.1359 0.1473 0.1578 0.086 Uiso 0.75 1 d PR J 1
H49E H 0.0859 0.1064 0.1835 0.086 Uiso 0.75 1 d PR J 1
O49A O 0.0981(19) 0.1481(8) 0.2378(13) 0.045(6) Uani 0.25 1 d PU K 2
H49D H 0.1604 0.1345 0.2483 0.054 Uiso 0.25 1 d PR K 2
H49A H 0.0844 0.1645 0.2752 0.067 Uiso 0.25 1 d PR K 2
O50 O 0.9002(8) 0.9322(4) 0.1435(5) 0.038(3) Uani 0.50 1 d PU . .
H50A H 0.9176 0.9470 0.1848 0.056 Uiso 0.50 1 d PR . .
H50C H 0.8368 0.9414 0.1234 0.056 Uiso 0.50 1 d PR . .
O51 O 0.7593(7) 0.9932(4) 0.0687(6) 0.031(2) Uani 0.50 1 d PU L 1
H51D H 0.7635 0.9625 0.0778 0.037 Uiso 0.50 1 d PR L 1
O51A O 0.7747(19) 0.9969(9) 0.1148(15) 0.051(7) Uani 0.25 1 d PU M 2
O52 O 0.7596(8) 0.0831(4) 0.0481(6) 0.034(3) Uani 0.50 1 d PU N 3
O52A O 0.8211(17) 0.0764(8) 0.0960(12) 0.039(5) Uani 0.25 1 d PU O 4
O53 O 0.8790(9) 0.1269(4) 0.1445(6) 0.045(3) Uani 0.50 1 d PU . .
H53A H 0.8955 0.1544 0.1654 0.067 Uiso 0.50 1 d PR . .
H53C H 0.8145 0.1283 0.1204 0.067 Uiso 0.50 1 d PR . .
O54 O 0.2526(10) 0.1107(4) 0.9348(7) 0.050(3) Uani 0.50 1 d PU . .
O55 O 0.6719(9) 0.1906(4) 0.1783(7) 0.045(3) Uani 0.50 1 d PU P 1
H55D H 0.6988 0.1650 0.2011 0.053 Uiso 0.50 1 d PR P 1
O55A O 0.6281(16) 0.1733(7) 0.1084(11) 0.030(5) Uani 0.25 1 d PU Q 2
O55B O 0.621(2) 0.1608(9) 0.0586(14) 0.050(7) Uani 0.25 1 d PU R 3
O56 O 0.3260(10) 0.3819(5) 0.4350(7) 0.054(3) Uani 0.50 1 d PU . .
H56A H 0.3417 0.3932 0.4790 0.081 Uiso 0.50 1 d PR . .
H56C H 0.2580 0.3754 0.4260 0.081 Uiso 0.50 1 d PR . .
O57 O 0.6312(10) 0.2541(4) 0.5783(7) 0.054(3) Uani 0.50 1 d PU S 1
H57A H 0.6605 0.2569 0.6235 0.081 Uiso 0.50 1 d PR S 1
H57B H 0.6464 0.2793 0.5541 0.081 Uiso 0.50 1 d PR S 1
O57A O 0.5389(16) 0.2454(7) 0.5916(11) 0.030(5) Uani 0.25 1 d PU T 2
O58 O 0.1173(11) 0.1723(5) 0.9718(8) 0.061(4) Uani 0.50 1 d PU . .
O59 O 0.1573(10) 0.0915(5) 0.0732(8) 0.061(4) Uani 0.50 1 d PU . .
H59A H 0.1255 0.1104 0.1003 0.092 Uiso 0.50 1 d PR . .
H59B H 0.1693 0.1070 0.0346 0.092 Uiso 0.50 1 d PR . .
O60 O 0.4359(15) 0.3105(6) 0.4459(11) 0.028(5) Uani 0.25 1 d PU U 1
H60B H 0.4512 0.3323 0.4156 0.042 Uiso 0.25 1 d PR U 1
O60A O 0.3887(14) 0.2831(6) 0.4852(9) 0.024(4) Uani 0.25 1 d PU V 2
H60H H 0.4285 0.2589 0.4765 0.029 Uiso 0.25 1 d PR V 2
H60E H 0.4076 0.2926 0.5299 0.036 Uiso 0.25 1 d PR V 2
O61 O 0.0445(15) 0.2080(6) 0.1968(10) 0.027(4) Uani 0.25 1 d PU . .
H61A H 0.0326 0.2256 0.2334 0.040 Uiso 0.25 1 d PR . .
H61B H 0.0506 0.2264 0.1599 0.040 Uiso 0.25 1 d PR . .
O62 O 0.795(2) 0.3128(8) 0.5548(14) 0.053(7) Uani 0.25 1 d PU W 1
H62A H 0.8192 0.3144 0.6011 0.079 Uiso 0.25 1 d PR W 1
H62C H 0.7272 0.3198 0.5473 0.079 Uiso 0.25 1 d PR W 1
O62A O 0.7296(12) 0.2883(5) 0.5680(9) 0.016(4) Uani 0.25 1 d PU X 2
O63 O 0.7792(12) 0.2577(6) 0.1481(9) 0.013(4) Uani 0.25 1 d PU Y 3
O63A O 0.7353(16) 0.2392(7) 0.1577(11) 0.027(5) Uani 0.25 1 d PU Z 4
O63B O 0.843(2) 0.2331(9) 0.1862(14) 0.054(7) Uani 0.25 1 d PU A 5
O64 O 0.8184(15) 0.1780(6) 0.2368(10) 0.087(6) Uani 0.50 1 d PU . .
H64A H 0.8308 0.1995 0.2710 0.131 Uiso 0.50 1 d PR . .
O65 O 0.0394(14) 0.0231(7) 0.0539(10) 0.026(4) Uani 0.25 1 d PU . .
H65B H 0.0422 0.0402 0.0151 0.039 Uiso 0.25 1 d PR . .
H65C H 0.0119 -0.0050 0.0413 0.039 Uiso 0.25 1 d PR . .
O66 O 0.4127(14) 0.1692(6) 0.0181(9) 0.020(4) Uani 0.25 1 d PU . .
O67 O 0.4358(17) 0.4566(8) 0.4320(12) 0.038(5) Uani 0.25 1 d PU . .
O68 O 0.2378(19) 0.2815(9) 0.5131(14) 0.051(7) Uani 0.25 1 d PU . .
H68A H 0.2557 0.2916 0.5576 0.076 Uiso 0.25 1 d PR . .
H68B H 0.2376 0.3057 0.4834 0.076 Uiso 0.25 1 d PR . .
O69 O 0.8075(19) 0.9831(9) 0.9696(14) 0.051(7) Uani 0.25 1 d PU . .
H69A H 0.8305 0.9829 1.0161 0.076 Uiso 0.25 1 d PR . .
H69B H 0.8475 1.0020 0.9480 0.076 Uiso 0.25 1 d 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'
Cu Cu 0.3201 1.2651 '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
O28 Gd1 O30 139.9(2) . .
O28 Gd1 O27 69.2(2) . .
O30 Gd1 O27 143.20(18) . .
O28 Gd1 O20 76.9(3) . 2_556
O30 Gd1 O20 122.17(18) . 2_556
O27 Gd1 O20 79.56(18) . 2_556
O28 Gd1 O29 70.2(2) . .
O30 Gd1 O29 76.28(19) . .
O27 Gd1 O29 138.88(17) . .
O20 Gd1 O29 85.51(19) 2_556 .
O28 Gd1 O26 75.1(3) . .
O30 Gd1 O26 77.0(2) . .
O27 Gd1 O26 97.3(2) . .
O20 Gd1 O26 151.0(2) 2_556 .
O29 Gd1 O26 78.11(19) . .
O28 Gd1 O6 120.8(3) . .
O30 Gd1 O6 72.59(18) . .
O27 Gd1 O6 71.70(18) . .
O20 Gd1 O6 135.51(17) 2_556 .
O29 Gd1 O6 137.77(18) . .
O26 Gd1 O6 67.69(17) . .
O28 Gd1 O5 139.3(2) . .
O30 Gd1 O5 80.12(18) . .
O27 Gd1 O5 71.39(16) . .
O20 Gd1 O5 86.59(17) 2_556 .
O29 Gd1 O5 145.88(16) . .
O26 Gd1 O5 119.99(17) . .
O6 Gd1 O5 52.61(15) . .
O28 Gd1 O19 119.1(3) . 2_556
O30 Gd1 O19 69.70(17) . 2_556
O27 Gd1 O19 122.02(18) . 2_556
O20 Gd1 O19 52.51(15) 2_556 2_556
O29 Gd1 O19 74.06(18) . 2_556
O26 Gd1 O19 140.59(19) . 2_556
O6 Gd1 O19 118.99(16) . 2_556
O5 Gd1 O19 74.83(15) . 2_556
O28 Gd1 C35 97.7(3) . 2_556
O30 Gd1 C35 95.75(19) . 2_556
O27 Gd1 C35 102.1(2) . 2_556
O20 Gd1 C35 26.43(18) 2_556 2_556
O29 Gd1 C35 77.34(19) . 2_556
O26 Gd1 C35 155.41(19) . 2_556
O6 Gd1 C35 133.10(17) . 2_556
O5 Gd1 C35 80.94(16) . 2_556
O19 Gd1 C35 26.15(17) 2_556 2_556
O28 Gd1 C8 135.1(2) . .
O30 Gd1 C8 74.65(19) . .
O27 Gd1 C8 69.43(17) . .
O20 Gd1 C8 111.57(19) 2_556 .
O29 Gd1 C8 150.88(18) . .
O26 Gd1 C8 93.68(19) . .
O6 Gd1 C8 26.15(17) . .
O5 Gd1 C8 26.46(17) . .
O19 Gd1 C8 97.22(17) 2_556 .
C35 Gd1 C8 107.19(19) 2_556 .
O28 Gd1 H26A 56.5(5) . .
O30 Gd1 H26A 95.3(6) . .
O27 Gd1 H26A 86.1(14) . .
O20 Gd1 H26A 133.3(6) 2_556 .
O29 Gd1 H26A 76.8(17) . .
O26 Gd1 H26A 19.1(3) . .
O6 Gd1 H26A 78.4(13) . .
O5 Gd1 H26A 130.1(15) . .
O19 Gd1 H26A 149.6(16) 2_556 .
C35 Gd1 H26A 148.5(13) 2_556 .
C8 Gd1 H26A 104.2(14) . .
O28 Gd1 H28A 19.4(9) . .
O30 Gd1 H28A 144(3) . .
O27 Gd1 H28A 72(3) . .
O20 Gd1 H28A 58.0(13) 2_556 .
O29 Gd1 H28A 67(3) . .
O26 Gd1 H28A 93.4(15) . .
O6 Gd1 H28A 136.3(18) . .
O5 Gd1 H28A 133(3) . .
O19 Gd1 H28A 100.8(10) 2_556 .
C35 Gd1 H28A 78.4(8) 2_556 .
C8 Gd1 H28A 142(3) . .
H26A Gd1 H28A 75.3(14) . .
O16 Gd2 O32 77.50(19) . .
O16 Gd2 O4 140.29(16) . 3_667
O32 Gd2 O4 100.08(17) . 3_667
O16 Gd2 O34 82.09(19) . .
O32 Gd2 O34 144.62(19) . .
O4 Gd2 O34 77.92(16) 3_667 .
O16 Gd2 O33 95.42(17) . .
O32 Gd2 O33 70.20(18) . .
O4 Gd2 O33 121.43(16) 3_667 .
O34 Gd2 O33 140.97(18) . .
O16 Gd2 O35 73.48(17) . .
O32 Gd2 O35 72.63(19) . .
O4 Gd2 O35 68.19(17) 3_667 .
O34 Gd2 O35 74.01(19) . .
O33 Gd2 O35 142.70(19) . .
O16 Gd2 O21 73.22(17) . .
O32 Gd2 O21 126.73(17) . .
O4 Gd2 O21 130.45(16) 3_667 .
O34 Gd2 O21 72.58(18) . .
O33 Gd2 O21 69.48(17) . .
O35 Gd2 O21 135.28(19) . .
O16 Gd2 O22 124.33(16) . .
O32 Gd2 O22 143.04(17) . .
O4 Gd2 O22 81.17(15) 3_667 .
O34 Gd2 O22 72.13(17) . .
O33 Gd2 O22 77.70(16) . .
O35 Gd2 O22 138.12(16) . .
O21 Gd2 O22 52.40(15) . .
O16 Gd2 O3 151.20(17) . 3_667
O32 Gd2 O3 74.25(18) . 3_667
O4 Gd2 O3 52.43(14) 3_667 3_667
O34 Gd2 O3 125.10(17) . 3_667
O33 Gd2 O3 69.88(16) . 3_667
O35 Gd2 O3 102.83(17) . 3_667
O21 Gd2 O3 120.57(16) . 3_667
O22 Gd2 O3 77.93(15) . 3_667
O16 Gd2 C7 154.06(18) . 3_667
O32 Gd2 C7 84.65(18) . 3_667
O4 Gd2 C7 26.40(16) 3_667 3_667
O34 Gd2 C7 102.90(18) . 3_667
O33 Gd2 C7 96.06(18) . 3_667
O35 Gd2 C7 83.36(19) . 3_667
O21 Gd2 C7 132.69(17) . 3_667
O22 Gd2 C7 80.92(16) . 3_667
O3 Gd2 C7 26.27(16) 3_667 3_667
O16 Gd2 C36 99.03(18) . .
O32 Gd2 C36 140.82(18) . .
O4 Gd2 C36 106.02(17) 3_667 .
O34 Gd2 C36 70.64(18) . .
O33 Gd2 C36 71.35(18) . .
O35 Gd2 C36 144.57(19) . .
O21 Gd2 C36 26.33(17) . .
O22 Gd2 C36 26.07(17) . .
O3 Gd2 C36 99.29(17) 3_667 .
C7 Gd2 C36 106.67(19) 3_667 .
O11 Cu1 O2 176.1(2) 1_655 .
O11 Cu1 N2 92.2(2) 1_655 .
O2 Cu1 N2 88.48(19) . .
O11 Cu1 N6 89.7(2) 1_655 2_656
O2 Cu1 N6 89.5(2) . 2_656
N2 Cu1 N6 177.2(2) . 2_656
O11 Cu1 O31 89.6(2) 1_655 .
O2 Cu1 O31 94.3(2) . .
N2 Cu1 O31 91.2(2) . .
N6 Cu1 O31 91.0(2) 2_656 .
N4 Cu2 N3 170.3(2) . .
N4 Cu2 O8 87.59(19) . .
N3 Cu2 O8 93.54(19) . .
N4 Cu2 O24 91.27(19) . 4_565
N3 Cu2 O24 86.73(19) . 4_565
O8 Cu2 O24 174.70(19) . 4_565
N4 Cu2 O25 96.8(2) . .
N3 Cu2 O25 92.8(2) . .
O8 Cu2 O25 90.7(2) . .
O24 Cu2 O25 94.6(2) 4_565 .
O13 Cu3 O17 166.7(2) . .
O13 Cu3 N5 90.7(2) . 4_665
O17 Cu3 N5 88.1(2) . 4_665
O13 Cu3 N1 90.81(19) . 2_546
O17 Cu3 N1 90.47(19) . 2_546
N5 Cu3 N1 178.5(2) 4_665 2_546
O13 Cu3 O36A 82.4(6) . .
O17 Cu3 O36A 110.8(6) . .
N5 Cu3 O36A 86.2(5) 4_665 .
N1 Cu3 O36A 93.6(4) 2_546 .
O13 Cu3 O36 103.7(3) . .
O17 Cu3 O36 89.6(3) . .
N5 Cu3 O36 92.7(3) 4_665 .
N1 Cu3 O36 86.7(2) 2_546 .
O36A Cu3 O36 22.3(5) . .
C1 O2 Cu1 117.9(4) . .
C7 O3 Gd2 89.8(4) . 3_667
C7 O4 Gd2 94.4(4) . 3_667
C8 O5 Gd1 91.6(4) . .
C8 O6 Gd1 93.1(4) . .
C14 O8 Cu2 109.5(4) . .
C21 O11 Cu1 113.9(5) . 1_455
C22 O13 Cu3 119.3(4) . .
C28 O16 Gd2 140.7(4) . .
C29 O17 Cu3 121.6(4) . .
C35 O19 Gd1 90.1(4) . 2_546
C35 O20 Gd1 95.4(4) . 2_546
C36 O21 Gd2 92.9(4) . .
C36 O22 Gd2 92.5(4) . .
C42 O24 Cu2 112.0(4) . 4_666
Cu2 O25 H25A 106(4) . .
Cu2 O25 H25B 136(4) . .
H25A O25 H25B 116(2) . .
Gd1 O26 H26A 91.4(9) . .
Gd1 O26 H26B 113(7) . .
H26A O26 H26B 117(2) . .
Gd1 O27 H27A 128(5) . .
Gd1 O27 H27B 108(5) . .
H27A O27 H27B 116(2) . .
Gd1 O28 H28A 91(8) . .
Gd1 O28 H28B 137(8) . .
H28A O28 H28B 116(2) . .
Gd1 O29 H29A 119(4) . .
Gd1 O29 H29B 122(4) . .
H29A O29 H29B 117(2) . .
Gd1 O30 H30A 119(5) . .
Gd1 O30 H30B 125(4) . .
H30A O30 H30B 117(2) . .
Cu1 O31 H31A 82(10) . .
Cu1 O31 H31B 122(7) . .
H31A O31 H31B 152(10) . .
Gd2 O32 H32A 117(5) . .
Gd2 O32 H32B 116(5) . .
H32A O32 H32B 117(2) . .
Gd2 O33 H33A 106(5) . .
Gd2 O33 H33B 128(5) . .
H33A O33 H33B 116(2) . .
Gd2 O34 H34A 120(5) . .
Gd2 O34 H34B 122(5) . .
H34A O34 H34B 118(2) . .
Gd2 O35 H35A 145(5) . .
Gd2 O35 H35B 95(5) . .
H35A O35 H35B 119(2) . .
Cu3 O36 H45C 122.7 . .
C5 N1 C4 117.6(5) . .
C5 N1 Cu3 117.8(4) . 2_556
C4 N1 Cu3 124.6(4) . 2_556
C11 N2 C10 118.3(5) . .
C11 N2 Cu1 125.8(4) . .
C10 N2 Cu1 115.7(4) . .
C18 N3 C17 117.9(5) . .
C18 N3 Cu2 122.7(4) . .
C17 N3 Cu2 118.9(4) . .
C26 N4 C25 118.1(5) . .
C26 N4 Cu2 119.9(4) . .
C25 N4 Cu2 121.3(4) . .
C38 N5 C39 118.5(6) . .
C38 N5 Cu3 117.1(4) . 4_566
C39 N5 Cu3 124.0(5) . 4_566
C32 N6 C33 117.2(6) . .
C32 N6 Cu1 124.2(5) . 2_646
C33 N6 Cu1 118.6(4) . 2_646
O1 C1 O2 124.8(6) . .
O1 C1 C2 120.3(6) . .
O2 C1 C2 114.7(6) . .
C3 C2 C6 117.9(6) . .
C3 C2 C1 118.9(6) . .
C6 C2 C1 123.2(6) . .
C4 C3 C2 120.6(6) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
N1 C4 C3 121.9(6) . .
N1 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
N1 C5 C6 124.0(6) . .
N1 C5 H5 118.0 . .
C6 C5 H5 118.0 . .
C5 C6 C2 117.9(6) . .
C5 C6 C7 118.4(6) . .
C2 C6 C7 123.6(5) . .
O3 C7 O4 122.3(6) . .
O3 C7 C6 119.8(6) . .
O4 C7 C6 117.9(5) . .
O3 C7 Gd2 63.9(3) . 3_667
O4 C7 Gd2 59.2(3) . 3_667
C6 C7 Gd2 169.8(4) . 3_667
O6 C8 O5 122.7(6) . .
O6 C8 C9 118.6(6) . .
O5 C8 C9 118.6(6) . .
O6 C8 Gd1 60.7(3) . .
O5 C8 Gd1 62.0(3) . .
C9 C8 Gd1 176.7(4) . .
C10 C9 C13 119.8(6) . .
C10 C9 C8 117.4(6) . .
C13 C9 C8 122.8(6) . .
N2 C10 C9 122.3(6) . .
N2 C10 H10 118.9 . .
C9 C10 H10 118.9 . .
N2 C11 C12 122.8(6) . .
N2 C11 H11 118.6 . .
C12 C11 H11 118.6 . .
C11 C12 C13 119.3(6) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C9 C13 C12 117.3(6) . .
C9 C13 C14 119.9(5) . .
C12 C13 C14 122.5(6) . .
O7 C14 O8 125.0(6) . .
O7 C14 C13 116.5(6) . .
O8 C14 C13 118.5(6) . .
O10 C15 O9 125.6(6) . .
O10 C15 C16 117.1(6) . .
O9 C15 C16 117.2(6) . .
C17 C16 C20 118.6(6) . .
C17 C16 C15 118.8(6) . .
C20 C16 C15 122.5(6) . .
N3 C17 C16 123.2(6) . .
N3 C17 H17 118.4 . .
C16 C17 H17 118.4 . .
N3 C18 C19 122.4(6) . .
N3 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C18 C19 C20 120.3(7) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C19 C20 C16 117.6(6) . .
C19 C20 C21 119.6(6) . .
C16 C20 C21 122.7(6) . .
O12 C21 O11 123.9(6) . .
O12 C21 C20 120.5(7) . .
O11 C21 C20 115.5(7) . .
O14 C22 O13 125.6(6) . .
O14 C22 C23 116.7(6) . .
O13 C22 C23 117.4(6) . .
C24 C23 C27 118.2(6) . .
C24 C23 C22 118.4(6) . .
C27 C23 C22 123.3(6) . .
C25 C24 C23 119.4(6) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
N4 C25 C24 122.6(6) . .
N4 C25 H25 118.7 . .
C24 C25 H25 118.7 . .
N4 C26 C27 122.8(6) . .
N4 C26 H26 118.6 . .
C27 C26 H26 118.6 . .
C26 C27 C23 119.0(6) . .
C26 C27 C28 118.4(6) . .
C23 C27 C28 122.5(6) . .
O15 C28 O16 126.6(6) . .
O15 C28 C27 117.5(6) . .
O16 C28 C27 115.8(5) . .
O18 C29 O17 125.6(6) . .
O18 C29 C30 117.7(6) . .
O17 C29 C30 116.6(6) . .
C34 C30 C31 117.2(6) . .
C34 C30 C29 123.4(6) . .
C31 C30 C29 119.3(6) . .
C32 C31 C30 120.3(7) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
N6 C32 C31 122.4(6) . .
N6 C32 H32 118.8 . .
C31 C32 H32 118.8 . .
N6 C33 C34 123.6(6) . .
N6 C33 H33 118.2 . .
C34 C33 H33 118.2 . .
C33 C34 C30 119.2(6) . .
C33 C34 C35 118.2(6) . .
C30 C34 C35 122.6(6) . .
O19 C35 O20 121.8(6) . .
O19 C35 C34 120.5(6) . .
O20 C35 C34 117.8(6) . .
O19 C35 Gd1 63.8(4) . 2_546
O20 C35 Gd1 58.2(3) . 2_546
C34 C35 Gd1 173.8(5) . 2_546
O22 C36 O21 122.2(6) . .
O22 C36 C37 119.1(6) . .
O21 C36 C37 118.6(6) . .
O22 C36 Gd2 61.4(3) . .
O21 C36 Gd2 60.8(3) . .
C37 C36 Gd2 175.1(4) . .
C38 C37 C41 118.0(6) . .
C38 C37 C36 118.8(6) . .
C41 C37 C36 123.1(6) . .
N5 C38 C37 122.8(6) . .
N5 C38 H38 118.6 . .
C37 C38 H38 118.6 . .
N5 C39 C40 122.6(7) . .
N5 C39 H39 118.7 . .
C40 C39 H39 118.7 . .
C39 C40 C41 119.2(6) . .
C39 C40 H40 120.4 . .
C41 C40 H40 120.4 . .
C40 C41 C37 118.9(6) . .
C40 C41 C42 121.5(6) . .
C37 C41 C42 119.3(6) . .
O23 C42 O24 124.8(6) . .
O23 C42 C41 118.1(6) . .
O24 C42 C41 117.1(6) . .
H37A O37 H37B 115.4 . .
H38B O38 H38C 116.9 . .
H39B O39 H39C 117.0 . .
H40A O40 H40C 109.5 . .
H41A O41 H41C 109.5 . .
H45A O45 H45B 109.5 . .
H45A O45 H45F 85.3 . .
H45B O45 H45F 35.1 . .
H45A O45A H45B 93.3 . .
H45A O45A H45C 61.0 . .
H45B O45A H45C 142.6 . .
H45A O45A H45F 59.9 . .
H45B O45A H45F 35.2 . .
H45C O45A H45F 109.5 . .
H46A O46 H46C 109.5 . .
H48A O48 H48B 109.5 . .
H49C O49 H49E 109.5 . .
H49C O49 H49D 130.4 . .
H49E O49 H49D 118.6 . .
H49D O49A H49A 109.5 . .
H50A O50 H50C 109.5 . .
H53A O53 H53C 109.5 . .
H56A O56 H56C 109.5 . .
H57A O57 H57B 109.5 . .
H59A O59 H59B 109.5 . .
H60H O60A H60E 109.5 . .
H61A O61 H61B 109.5 . .
H62A O62 H62C 109.5 . .
H57B O62A H62C 98.5 . .
H65B O65 H65C 109.5 . .
H68A O68 H68B 109.4 . .
H69A O69 H69B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O28 2.409(6) .
Gd1 O30 2.410(5) .
Gd1 O27 2.412(5) .
Gd1 O20 2.416(5) 2_556
Gd1 O29 2.416(5) .
Gd1 O26 2.434(6) .
Gd1 O6 2.479(5) .
Gd1 O5 2.505(5) .
Gd1 O19 2.538(5) 2_556
Gd1 C35 2.829(7) 2_556
Gd1 C8 2.837(6) .
Gd1 H26A 2.597(10) .
Gd1 H28A 2.58(11) .
Gd2 O16 2.348(5) .
Gd2 O32 2.399(5) .
Gd2 O4 2.439(4) 3_667
Gd2 O34 2.441(5) .
Gd2 O33 2.444(5) .
Gd2 O35 2.446(5) .
Gd2 O21 2.500(5) .
Gd2 O22 2.514(5) .
Gd2 O3 2.541(5) 3_667
Gd2 C7 2.830(6) 3_667
Gd2 C36 2.860(7) .
Cu1 O11 1.974(4) 1_655
Cu1 O2 1.978(4) .
Cu1 N2 2.016(5) .
Cu1 N6 2.021(5) 2_656
Cu1 O31 2.292(6) .
Cu2 N4 1.988(5) .
Cu2 N3 1.994(5) .
Cu2 O8 2.013(4) .
Cu2 O24 2.022(4) 4_565
Cu2 O25 2.229(5) .
Cu3 O13 1.990(4) .
Cu3 O17 1.994(4) .
Cu3 N5 1.997(5) 4_665
Cu3 N1 2.006(5) 2_546
Cu3 O36A 2.219(16) .
Cu3 O36 2.255(7) .
O1 C1 1.224(8) .
O2 C1 1.285(8) .
O3 C7 1.253(7) .
O3 Gd2 2.541(5) 3_667
O4 C7 1.262(8) .
O4 Gd2 2.439(4) 3_667
O5 C8 1.264(8) .
O6 C8 1.252(8) .
O7 C14 1.254(8) .
O8 C14 1.262(8) .
O9 C15 1.261(9) .
O10 C15 1.247(8) .
O11 C21 1.281(9) .
O11 Cu1 1.974(4) 1_455
O12 C21 1.220(10) .
O13 C22 1.262(9) .
O14 C22 1.249(9) .
O15 C28 1.249(8) .
O16 C28 1.263(8) .
O17 C29 1.259(8) .
O18 C29 1.252(9) .
O19 C35 1.247(8) .
O19 Gd1 2.538(5) 2_546
O20 C35 1.265(8) .
O20 Gd1 2.416(5) 2_546
O21 C36 1.270(9) .
O22 C36 1.258(8) .
O23 C42 1.249(8) .
O24 C42 1.274(8) .
O24 Cu2 2.022(4) 4_666
O25 H25A 0.851(11) .
O25 H25B 0.852(10) .
O26 H26A 0.851(10) .
O26 H26B 0.849(10) .
O27 H27A 0.851(10) .
O27 H27B 0.852(10) .
O28 H28A 0.855(10) .
O28 H28B 0.852(10) .
O29 H29A 0.847(10) .
O29 H29B 0.849(10) .
O30 H30A 0.851(10) .
O30 H30B 0.851(10) .
O31 H31A 0.65(9) .
O31 H31B 0.84(9) .
O32 H32A 0.848(10) .
O32 H32B 0.850(10) .
O33 H33A 0.850(10) .
O33 H33B 0.852(10) .
O34 H34A 0.846(10) .
O34 H34B 0.848(10) .
O35 H35A 0.845(10) .
O35 H35B 0.845(10) .
O36 H45C 1.1343 .
N1 C5 1.345(8) .
N1 C4 1.354(8) .
N1 Cu3 2.006(5) 2_556
N2 C11 1.340(9) .
N2 C10 1.349(8) .
N3 C18 1.330(9) .
N3 C17 1.352(9) .
N4 C26 1.342(8) .
N4 C25 1.349(8) .
N5 C38 1.340(9) .
N5 C39 1.346(9) .
N5 Cu3 1.997(5) 4_566
N6 C32 1.337(9) .
N6 C33 1.351(9) .
N6 Cu1 2.021(5) 2_646
C1 C2 1.509(8) .
C2 C3 1.394(9) .
C2 C6 1.403(9) .
C3 C4 1.383(9) .
C3 H3 0.9500 .
C4 H4 0.9500 .
C5 C6 1.397(8) .
C5 H5 0.9500 .
C6 C7 1.501(9) .
C7 Gd2 2.830(6) 3_667
C8 C9 1.513(9) .
C9 C10 1.380(9) .
C9 C13 1.398(9) .
C10 H10 0.9500 .
C11 C12 1.383(9) .
C11 H11 0.9500 .
C12 C13 1.403(9) .
C12 H12 0.9500 .
C13 C14 1.507(9) .
C15 C16 1.517(9) .
C16 C17 1.379(9) .
C16 C20 1.392(9) .
C17 H17 0.9500 .
C18 C19 1.373(10) .
C18 H18 0.9500 .
C19 C20 1.391(10) .
C19 H19 0.9500 .
C20 C21 1.507(9) .
C22 C23 1.515(9) .
C23 C24 1.392(9) .
C23 C27 1.396(9) .
C24 C25 1.387(9) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.393(9) .
C26 H26 0.9500 .
C27 C28 1.512(8) .
C29 C30 1.517(9) .
C30 C34 1.390(10) .
C30 C31 1.391(10) .
C31 C32 1.384(10) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C34 1.376(9) .
C33 H33 0.9500 .
C34 C35 1.513(9) .
C35 Gd1 2.829(7) 2_546
C36 C37 1.501(9) .
C37 C38 1.398(9) .
C37 C41 1.402(9) .
C38 H38 0.9500 .
C39 C40 1.382(9) .
C39 H39 0.9500 .
C40 C41 1.387(9) .
C40 H40 0.9500 .
C41 C42 1.518(8) .
O37 H37A 0.8553 .
O37 H37B 0.8549 .
O38 H38B 0.8501 .
O38 H38C 0.8497 .
O39 H39B 0.8508 .
O39 H39C 0.8502 .
O40 H40A 0.9598 .
O40 H40C 0.9601 .
O41 H41A 0.9599 .
O41 H41C 0.9598 .
O44 H44D 0.9599 .
O44A H44D 1.3454 .
O45 H45A 0.9598 .
O45 H45B 0.9598 .
O45 H45F 0.6817 .
O45A H45A 1.2478 .
O45A H45B 0.8798 .
O45A H45C 0.9597 .
O45A H45F 0.9601 .
O46 H46A 0.9597 .
O46 H46C 0.9601 .
O48 H48A 0.9599 .
O48 H48B 0.9599 .
O49 H49C 0.9602 .
O49 H49E 0.9600 .
O49 H49D 1.1098 .
O49A H49D 0.9599 .
O49A H49A 0.9600 .
O50 H50A 0.9599 .
O50 H50C 0.9601 .
O51 H51D 0.9599 .
O51A H51D 1.2951 .
O53 H53A 0.9598 .
O53 H53C 0.9599 .
O55 H55D 0.9600 .
O56 H56A 0.9600 .
O56 H56C 0.9600 .
O57 H57A 0.9602 .
O57 H57B 0.9601 .
O59 H59A 0.9601 .
O59 H59B 0.9600 .
O60 H60B 0.9599 .
O60A H60H 0.9602 .
O60A H60E 0.9599 .
O61 H61A 0.9600 .
O61 H61B 0.9599 .
O62 H62A 0.9600 .
O62 H62C 0.9600 .
O62A H57B 1.1854 .
O62A H62C 1.0542 .
O64 H64A 0.9598 .
O65 H65B 0.9599 .
O65 H65C 0.9604 .
O68 H68A 0.9602 .
O68 H68B 0.9601 .
O69 H69A 0.9601 .
O69 H69B 0.9599 .
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
O11 Cu1 O2 C1 -41(3) 1_655 .
N2 Cu1 O2 C1 59.1(4) . .
N6 Cu1 O2 C1 -118.9(4) 2_656 .
O31 Cu1 O2 C1 150.1(4) . .
O28 Gd1 O5 C8 95.9(5) . .
O30 Gd1 O5 C8 -75.3(4) . .
O27 Gd1 O5 C8 81.0(4) . .
O20 Gd1 O5 C8 161.2(4) 2_556 .
O29 Gd1 O5 C8 -122.0(4) . .
O26 Gd1 O5 C8 -6.7(4) . .
O6 Gd1 O5 C8 0.2(3) . .
O19 Gd1 O5 C8 -146.8(4) 2_556 .
C35 Gd1 O5 C8 -172.9(4) 2_556 .
O28 Gd1 O6 C8 -131.2(4) . .
O30 Gd1 O6 C8 90.5(4) . .
O27 Gd1 O6 C8 -80.4(4) . .
O20 Gd1 O6 C8 -28.0(5) 2_556 .
O29 Gd1 O6 C8 134.9(4) . .
O26 Gd1 O6 C8 173.3(5) . .
O5 Gd1 O6 C8 -0.2(4) . .
O19 Gd1 O6 C8 36.6(4) 2_556 .
C35 Gd1 O6 C8 9.1(5) 2_556 .
N4 Cu2 O8 C14 73.8(4) . .
N3 Cu2 O8 C14 -96.6(4) . .
O24 Cu2 O8 C14 -4(2) 4_565 .
O25 Cu2 O8 C14 170.5(4) . .
O17 Cu3 O13 C22 -30.8(10) . .
N5 Cu3 O13 C22 -115.7(5) 4_665 .
N1 Cu3 O13 C22 64.6(5) 2_546 .
O36A Cu3 O13 C22 158.2(6) . .
O36 Cu3 O13 C22 151.4(5) . .
O32 Gd2 O16 C28 50.2(7) . .
O4 Gd2 O16 C28 -40.6(8) 3_667 .
O34 Gd2 O16 C28 -100.7(7) . .
O33 Gd2 O16 C28 118.5(7) . .
O35 Gd2 O16 C28 -25.1(7) . .
O21 Gd2 O16 C28 -174.8(7) . .
O22 Gd2 O16 C28 -162.7(7) . .
O3 Gd2 O16 C28 61.5(8) 3_667 .
C7 Gd2 O16 C28 2.6(10) 3_667 .
C36 Gd2 O16 C28 -169.6(7) . .
O13 Cu3 O17 C29 -28.4(10) . .
N5 Cu3 O17 C29 56.8(5) 4_665 .
N1 Cu3 O17 C29 -123.9(5) 2_546 .
O36A Cu3 O17 C29 142.0(6) . .
O36 Cu3 O17 C29 149.4(5) . .
O16 Gd2 O21 C36 168.2(4) . .
O32 Gd2 O21 C36 -132.3(4) . .
O4 Gd2 O21 C36 25.2(5) 3_667 .
O34 Gd2 O21 C36 81.4(4) . .
O33 Gd2 O21 C36 -89.2(4) . .
O35 Gd2 O21 C36 124.8(4) . .
O22 Gd2 O21 C36 0.9(3) . .
O3 Gd2 O21 C36 -39.6(4) 3_667 .
C7 Gd2 O21 C36 -10.3(5) 3_667 .
O16 Gd2 O22 C36 -15.6(4) . .
O32 Gd2 O22 C36 102.6(4) . .
O4 Gd2 O22 C36 -162.4(4) 3_667 .
O34 Gd2 O22 C36 -82.3(4) . .
O33 Gd2 O22 C36 72.6(4) . .
O35 Gd2 O22 C36 -119.8(4) . .
O21 Gd2 O22 C36 -0.9(3) . .
O3 Gd2 O22 C36 144.3(4) 3_667 .
C7 Gd2 O22 C36 170.9(4) 3_667 .
O11 Cu1 N2 C11 50.1(6) 1_655 .
O2 Cu1 N2 C11 -126.0(6) . .
N6 Cu1 N2 C11 -81(5) 2_656 .
O31 Cu1 N2 C11 139.7(6) . .
O11 Cu1 N2 C10 -134.8(5) 1_655 .
O2 Cu1 N2 C10 49.0(5) . .
N6 Cu1 N2 C10 94(5) 2_656 .
O31 Cu1 N2 C10 -45.2(5) . .
N4 Cu2 N3 C18 -44.0(15) . .
O8 Cu2 N3 C18 52.4(5) . .
O24 Cu2 N3 C18 -122.3(5) 4_565 .
O25 Cu2 N3 C18 143.3(5) . .
N4 Cu2 N3 C17 127.4(12) . .
O8 Cu2 N3 C17 -136.1(5) . .
O24 Cu2 N3 C17 49.2(5) 4_565 .
O25 Cu2 N3 C17 -45.3(5) . .
N3 Cu2 N4 C26 147.6(11) . .
O8 Cu2 N4 C26 50.6(5) . .
O24 Cu2 N4 C26 -134.6(5) 4_565 .
O25 Cu2 N4 C26 -39.8(5) . .
N3 Cu2 N4 C25 -23.0(15) . .
O8 Cu2 N4 C25 -120.0(5) . .
O24 Cu2 N4 C25 54.8(5) 4_565 .
O25 Cu2 N4 C25 149.6(5) . .
Cu1 O2 C1 O1 12.1(8) . .
Cu1 O2 C1 C2 -162.6(4) . .
O1 C1 C2 C3 -93.4(8) . .
O2 C1 C2 C3 81.6(8) . .
O1 C1 C2 C6 84.4(8) . .
O2 C1 C2 C6 -100.6(7) . .
C6 C2 C3 C4 2.7(10) . .
C1 C2 C3 C4 -179.5(6) . .
C5 N1 C4 C3 0.5(10) . .
Cu3 N1 C4 C3 -178.2(5) 2_556 .
C2 C3 C4 N1 -2.7(11) . .
C4 N1 C5 C6 1.7(10) . .
Cu3 N1 C5 C6 -179.4(5) 2_556 .
N1 C5 C6 C2 -1.7(10) . .
N1 C5 C6 C7 176.9(6) . .
C3 C2 C6 C5 -0.6(9) . .
C1 C2 C6 C5 -178.3(6) . .
C3 C2 C6 C7 -179.1(6) . .
C1 C2 C6 C7 3.1(10) . .
Gd2 O3 C7 O4 10.7(6) 3_667 .
Gd2 O3 C7 C6 -169.2(5) 3_667 .
Gd2 O4 C7 O3 -11.1(7) 3_667 .
Gd2 O4 C7 C6 168.7(5) 3_667 .
C5 C6 C7 O3 179.2(6) . .
C2 C6 C7 O3 -2.3(10) . .
C5 C6 C7 O4 -0.7(9) . .
C2 C6 C7 O4 177.8(6) . .
C5 C6 C7 Gd2 70(3) . 3_667
C2 C6 C7 Gd2 -111(2) . 3_667
Gd1 O6 C8 O5 0.4(7) . .
Gd1 O6 C8 C9 -176.3(5) . .
Gd1 O5 C8 O6 -0.4(7) . .
Gd1 O5 C8 C9 176.3(5) . .
O28 Gd1 C8 O6 66.3(5) . .
O30 Gd1 C8 O6 -81.7(4) . .
O27 Gd1 C8 O6 90.2(4) . .
O20 Gd1 C8 O6 159.3(4) 2_556 .
O29 Gd1 C8 O6 -78.2(6) . .
O26 Gd1 C8 O6 -6.2(4) . .
O5 Gd1 C8 O6 179.6(6) . .
O19 Gd1 C8 O6 -148.3(4) 2_556 .
C35 Gd1 C8 O6 -173.0(4) 2_556 .
O28 Gd1 C8 O5 -113.2(5) . .
O30 Gd1 C8 O5 98.8(4) . .
O27 Gd1 C8 O5 -89.4(4) . .
O20 Gd1 C8 O5 -20.3(4) 2_556 .
O29 Gd1 C8 O5 102.2(5) . .
O26 Gd1 C8 O5 174.2(4) . .
O6 Gd1 C8 O5 -179.6(6) . .
O19 Gd1 C8 O5 32.2(4) 2_556 .
C35 Gd1 C8 O5 7.4(4) 2_556 .
O28 Gd1 C8 C9 145(8) . .
O30 Gd1 C8 C9 -3(8) . .
O27 Gd1 C8 C9 169(8) . .
O20 Gd1 C8 C9 -122(8) 2_556 .
O29 Gd1 C8 C9 1(8) . .
O26 Gd1 C8 C9 73(8) . .
O6 Gd1 C8 C9 79(8) . .
O5 Gd1 C8 C9 -102(8) . .
O19 Gd1 C8 C9 -69(8) 2_556 .
C35 Gd1 C8 C9 -94(8) 2_556 .
O6 C8 C9 C10 58.0(8) . .
O5 C8 C9 C10 -118.9(7) . .
Gd1 C8 C9 C10 -19(9) . .
O6 C8 C9 C13 -122.5(7) . .
O5 C8 C9 C13 60.7(9) . .
Gd1 C8 C9 C13 160(8) . .
C11 N2 C10 C9 0.6(9) . .
Cu1 N2 C10 C9 -174.9(5) . .
C13 C9 C10 N2 -2.4(10) . .
C8 C9 C10 N2 177.1(6) . .
C10 N2 C11 C12 0.2(10) . .
Cu1 N2 C11 C12 175.2(5) . .
N2 C11 C12 C13 0.8(11) . .
C10 C9 C13 C12 3.3(9) . .
C8 C9 C13 C12 -176.2(6) . .
C10 C9 C13 C14 -171.0(6) . .
C8 C9 C13 C14 9.5(9) . .
C11 C12 C13 C9 -2.5(10) . .
C11 C12 C13 C14 171.6(6) . .
Cu2 O8 C14 O7 9.6(7) . .
Cu2 O8 C14 C13 -166.7(4) . .
C9 C13 C14 O7 36.1(8) . .
C12 C13 C14 O7 -137.9(7) . .
C9 C13 C14 O8 -147.3(6) . .
C12 C13 C14 O8 38.7(9) . .
O10 C15 C16 C17 -138.6(7) . .
O9 C15 C16 C17 37.5(10) . .
O10 C15 C16 C20 38.0(10) . .
O9 C15 C16 C20 -145.8(7) . .
C18 N3 C17 C16 1.6(10) . .
Cu2 N3 C17 C16 -170.2(5) . .
C20 C16 C17 N3 -0.9(10) . .
C15 C16 C17 N3 175.8(6) . .
C17 N3 C18 C19 -2.2(11) . .
Cu2 N3 C18 C19 169.3(6) . .
N3 C18 C19 C20 2.1(13) . .
C18 C19 C20 C16 -1.3(12) . .
C18 C19 C20 C21 176.6(8) . .
C17 C16 C20 C19 0.7(10) . .
C15 C16 C20 C19 -175.9(7) . .
C17 C16 C20 C21 -177.1(7) . .
C15 C16 C20 C21 6.2(11) . .
Cu1 O11 C21 O12 14.2(9) 1_455 .
Cu1 O11 C21 C20 -162.6(4) 1_455 .
C19 C20 C21 O12 -116.7(9) . .
C16 C20 C21 O12 61.1(10) . .
C19 C20 C21 O11 60.2(9) . .
C16 C20 C21 O11 -122.0(7) . .
Cu3 O13 C22 O14 9.5(9) . .
Cu3 O13 C22 C23 -163.5(4) . .
O14 C22 C23 C24 -105.2(8) . .
O13 C22 C23 C24 68.4(8) . .
O14 C22 C23 C27 70.2(9) . .
O13 C22 C23 C27 -116.2(7) . .
C27 C23 C24 C25 -0.1(10) . .
C22 C23 C24 C25 175.5(6) . .
C26 N4 C25 C24 0.2(10) . .
Cu2 N4 C25 C24 171.0(5) . .
C23 C24 C25 N4 0.0(11) . .
C25 N4 C26 C27 -0.3(9) . .
Cu2 N4 C26 C27 -171.2(5) . .
N4 C26 C27 C23 0.2(10) . .
N4 C26 C27 C28 177.9(6) . .
C24 C23 C27 C26 0.0(10) . .
C22 C23 C27 C26 -175.4(6) . .
C24 C23 C27 C28 -177.6(6) . .
C22 C23 C27 C28 7.0(10) . .
Gd2 O16 C28 O15 25.9(12) . .
Gd2 O16 C28 C27 -151.1(5) . .
C26 C27 C28 O15 -153.3(7) . .
C23 C27 C28 O15 24.3(10) . .
C26 C27 C28 O16 23.9(9) . .
C23 C27 C28 O16 -158.4(7) . .
Cu3 O17 C29 O18 11.8(9) . .
Cu3 O17 C29 C30 -163.9(4) . .
O18 C29 C30 C34 80.3(9) . .
O17 C29 C30 C34 -103.6(8) . .
O18 C29 C30 C31 -95.8(8) . .
O17 C29 C30 C31 80.3(8) . .
C34 C30 C31 C32 -0.4(11) . .
C29 C30 C31 C32 176.0(7) . .
C33 N6 C32 C31 -0.7(11) . .
Cu1 N6 C32 C31 -179.1(6) 2_646 .
C30 C31 C32 N6 -0.5(12) . .
C32 N6 C33 C34 2.8(10) . .
Cu1 N6 C33 C34 -178.7(5) 2_646 .
N6 C33 C34 C30 -3.7(11) . .
N6 C33 C34 C35 175.4(6) . .
C31 C30 C34 C33 2.3(10) . .
C29 C30 C34 C33 -173.9(7) . .
C31 C30 C34 C35 -176.7(6) . .
C29 C30 C34 C35 7.1(11) . .
Gd1 O19 C35 O20 5.4(7) 2_546 .
Gd1 O19 C35 C34 -174.9(5) 2_546 .
Gd1 O20 C35 O19 -5.6(7) 2_546 .
Gd1 O20 C35 C34 174.6(5) 2_546 .
C33 C34 C35 O19 -174.8(6) . .
C30 C34 C35 O19 4.2(10) . .
C33 C34 C35 O20 4.9(10) . .
C30 C34 C35 O20 -176.1(7) . .
C33 C34 C35 Gd1 53(4) . 2_546
C30 C34 C35 Gd1 -128(4) . 2_546
Gd2 O22 C36 O21 1.6(6) . .
Gd2 O22 C36 C37 -174.4(5) . .
Gd2 O21 C36 O22 -1.6(6) . .
Gd2 O21 C36 C37 174.4(5) . .
O16 Gd2 C36 O22 167.0(3) . .
O32 Gd2 C36 O22 -111.7(4) . .
O4 Gd2 C36 O22 18.1(4) 3_667 .
O34 Gd2 C36 O22 88.8(4) . .
O33 Gd2 C36 O22 -100.3(4) . .
O35 Gd2 C36 O22 92.9(4) . .
O21 Gd2 C36 O22 178.5(6) . .
O3 Gd2 C36 O22 -35.3(4) 3_667 .
C7 Gd2 C36 O22 -9.4(4) 3_667 .
O16 Gd2 C36 O21 -11.5(4) . .
O32 Gd2 C36 O21 69.8(5) . .
O4 Gd2 C36 O21 -160.3(4) 3_667 .
O34 Gd2 C36 O21 -89.7(4) . .
O33 Gd2 C36 O21 81.3(4) . .
O35 Gd2 C36 O21 -85.6(5) . .
O22 Gd2 C36 O21 -178.5(6) . .
O3 Gd2 C36 O21 146.2(4) 3_667 .
C7 Gd2 C36 O21 172.1(4) 3_667 .
O16 Gd2 C36 C37 -95(6) . .
O32 Gd2 C36 C37 -14(6) . .
O4 Gd2 C36 C37 116(6) 3_667 .
O34 Gd2 C36 C37 -174(6) . .
O33 Gd2 C36 C37 -3(6) . .
O35 Gd2 C36 C37 -169(5) . .
O21 Gd2 C36 C37 -84(6) . .
O22 Gd2 C36 C37 98(6) . .
O3 Gd2 C36 C37 62(6) 3_667 .
C7 Gd2 C36 C37 88(6) 3_667 .
O22 C36 C37 C38 120.1(7) . .
O21 C36 C37 C38 -56.0(9) . .
Gd2 C36 C37 C38 25(6) . .
O22 C36 C37 C41 -56.3(9) . .
O21 C36 C37 C41 127.6(7) . .
Gd2 C36 C37 C41 -151(5) . .
C39 N5 C38 C37 -0.8(10) . .
Cu3 N5 C38 C37 171.7(5) 4_566 .
C41 C37 C38 N5 1.5(10) . .
C36 C37 C38 N5 -175.1(6) . .
C38 N5 C39 C40 -0.6(10) . .
Cu3 N5 C39 C40 -172.5(5) 4_566 .
N5 C39 C40 C41 1.2(11) . .
C39 C40 C41 C37 -0.5(10) . .
C39 C40 C41 C42 -174.3(6) . .
C38 C37 C41 C40 -0.8(9) . .
C36 C37 C41 C40 175.7(6) . .
C38 C37 C41 C42 173.2(6) . .
C36 C37 C41 C42 -10.4(9) . .
Cu2 O24 C42 O23 -13.8(8) 4_666 .
Cu2 O24 C42 C41 164.4(4) 4_666 .
C40 C41 C42 O23 136.8(7) . .
C37 C41 C42 O23 -37.0(8) . .
C40 C41 C42 O24 -41.6(9) . .
C37 C41 C42 O24 144.6(6) . .
