#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:33:27 +0100 (jue 24 de mar de 2016) $
#$Revision: 179585 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/50/4505063.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_4505063
loop_
_publ_author_name
'Kou, Hui-Zhong'
'Jiang, Yun-Bo'
'Cui, Ai-Li'
_publ_section_title
;
 Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic
 Gd(III)−Cu(II) Coupling
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              77
_journal_paper_doi               10.1021/cg049897s
_journal_volume                  5
_journal_year                    2005
_chemical_formula_sum            'C12 H20 Cl2 Cu2 Gd K N2 O16'
_chemical_formula_weight         842.63
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 111.534(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   17.107(6)
_cell_length_b                   33.190(11)
_cell_length_c                   18.151(6)
_cell_measurement_reflns_used    42109
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      1.171
_cell_measurement_theta_min      0.939
_cell_volume                     9586(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '15\\times15 microns'
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0836
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41721
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.23
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    4.970
_exptl_absorpt_correction_T_max  1.170
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6544
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         5.089
_refine_diff_density_min         -2.262
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1306
_refine_ls_number_reflns         18731
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0560
_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)+(0.0400P)²+45.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1233
_reflns_number_gt                11549
_reflns_number_total             18731
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg049897ssi20040322_023716.cif
_cod_data_source_block           2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9586(5)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4505063
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
Gd1 Gd 0.76218(3) 0.091814(13) 0.22906(3) 0.01563(12) Uani 1 1 d .
Gd2 Gd 0.75815(3) 0.211915(13) -0.25910(3) 0.01545(11) Uani 1 1 d .
Gd3 Gd 0.76474(3) -0.036752(13) 0.71755(2) 0.01474(11) Uani 1 1 d .
Gd4 Gd 0.74175(3) -0.162529(13) 0.24473(3) 0.02096(12) Uani 1 1 d .
Cu5 Cu 0.59157(7) 0.10051(3) -0.54920(6) 0.0167(3) Uani 1 1 d .
Cu6 Cu 0.89132(8) 0.22710(3) -0.44132(7) 0.0192(3) Uani 1 1 d .
Cu7 Cu 0.89741(8) -0.14323(3) 1.02644(6) 0.0175(3) Uani 1 1 d .
Cu3 Cu 0.89059(8) -0.01748(3) 0.52988(7) 0.0214(3) Uani 1 1 d .
Cu2 Cu 0.89005(8) 0.10810(3) 0.05024(7) 0.0183(3) Uani 1 1 d .
Cu8 Cu 0.59892(7) -0.14683(3) 0.42398(7) 0.0185(3) Uani 1 1 d .
Cu1 Cu 0.59366(8) -0.02505(3) -0.04853(7) 0.0234(3) Uani 1 1 d .
Cu4 Cu 0.89916(8) -0.27252(3) 0.53777(7) 0.0176(3) Uani 1 1 d .
Cl3 Cl 0.91370(18) -0.21032(7) 1.02423(16) 0.0314(6) Uani 1 1 d .
Cl6 Cl 0.56842(18) 0.03467(7) -0.54663(16) 0.0332(6) Uani 1 1 d .
Cl4 Cl 0.92137(17) -0.33868(7) 0.53707(16) 0.0317(6) Uani 1 1 d .
Cl7 Cl 0.9002(2) 0.16059(8) -0.45427(19) 0.0443(8) Uani 1 1 d .
Cl5 Cl 0.8968(2) -0.08475(8) 0.5165(2) 0.0442(8) Uani 1 1 d .
Cl2 Cl 0.8991(2) 0.04075(7) 0.04622(18) 0.0397(7) Uani 1 1 d .
Cl8 Cl 0.58353(19) -0.21365(8) 0.42835(19) 0.0421(7) Uani 1 1 d .
Cl1 Cl 0.5794(2) -0.09021(8) -0.0248(2) 0.0579(10) Uani 1 1 d .
K1 K 0.74314(14) 0.21672(6) 0.27359(12) 0.0245(5) Uani 1 1 d .
K2 K 0.73376(14) 0.34227(6) -0.23287(12) 0.0252(5) Uani 1 1 d .
K3 K 0.75195(15) 0.08965(6) 0.76469(13) 0.0257(5) Uani 1 1 d .
K4 K 0.76528(15) -0.03170(6) 0.23386(13) 0.0288(5) Uani 1 1 d .
O83 O 0.6789(4) -0.13873(19) 0.5333(4) 0.0265(16) Uani 1 1 d .
O82 O 0.7230(4) -0.09266(18) 0.6277(4) 0.0239(16) Uani 1 1 d .
O74 O 0.8180(5) 0.24029(18) -0.5511(4) 0.0264(16) Uani 1 1 d .
O62 O 0.6750(5) 0.09679(18) -0.6080(4) 0.0272(17) Uani 1 1 d .
O40 O 1.0145(4) -0.25532(18) 0.6178(4) 0.0303(17) Uani 1 1 d .
N6 N 0.6161(5) 0.1590(2) -0.5521(4) 0.0136(16) Uani 1 1 d .
N8 N 0.6051(5) -0.0857(2) 0.4180(4) 0.0150(17) Uani 1 1 d .
O42 O 0.8651(5) -0.26212(19) 0.4206(4) 0.0318(18) Uani 1 1 d .
O44 O 0.8129(5) -0.27640(19) 0.5917(4) 0.0276(17) Uani 1 1 d .
O31 O 0.8174(5) -0.0840(2) 0.8218(4) 0.0317(18) Uani 1 1 d .
O34 O 0.8073(5) -0.1465(2) 1.0772(4) 0.0288(17) Uani 1 1 d .
O20 O 0.8243(4) 0.11857(18) -0.0620(4) 0.0251(16) Uani 1 1 d .
N3 N 0.8797(5) -0.0832(2) 1.0338(4) 0.0140(17) Uani 1 1 d .
O32 O 1.0077(4) -0.12947(18) 1.1198(4) 0.0312(18) Uani 1 1 d .
O22 O 0.9825(5) 0.1116(2) 0.1516(4) 0.0335(18) Uani 1 1 d .
N4 N 0.8766(5) -0.2132(2) 0.5411(4) 0.0151(17) Uani 1 1 d .
O53 O 0.8292(5) -0.00612(19) 0.4182(4) 0.0329(18) Uani 1 1 d .
O25 O 0.7979(4) 0.11416(17) 0.1138(4) 0.0218(15) Uani 1 1 d .
O52 O 0.8053(5) 0.04190(19) 0.3292(4) 0.0278(17) Uani 1 1 d .
C31 C 0.8386(7) -0.0971(3) 0.8907(5) 0.022(2) Uani 1 1 d .
C21 C 0.8302(6) 0.1540(3) -0.0846(6) 0.021(2) Uani 1 1 d .
O1 O 0.7188(5) 0.03711(19) 0.1430(4) 0.0272(16) Uani 1 1 d .
O30 O 0.8641(5) -0.1322(2) 0.9116(4) 0.040(2) Uani 1 1 d .
O56 O 0.7996(4) -0.01392(18) 0.5989(4) 0.0216(15) Uani 1 1 d .
C72 C 0.9731(7) 0.2986(3) -0.3663(6) 0.030(3) Uani 1 1 d .
H72A H 0.9628 0.3188 -0.3323 0.036 Uiso 1 1 calc R
H72B H 1.0103 0.3104 -0.3899 0.036 Uiso 1 1 calc R
O71 O 0.7656(5) 0.28181(18) -0.3106(4) 0.0259(17) Uani 1 1 d .
O54 O 0.7765(5) 0.0341(2) 0.6702(4) 0.0293(17) Uani 1 1 d .
O70 O 0.8067(4) 0.23269(17) -0.3693(4) 0.0189(15) Uani 1 1 d .
C75 C 0.7968(6) 0.2702(3) -0.3591(5) 0.018(2) Uani 1 1 d .
C51 C 0.8335(6) 0.0303(3) 0.3986(5) 0.020(2) Uani 1 1 d .
O51 O 0.9857(5) -0.0153(2) 0.6280(5) 0.045(2) Uani 1 1 d .
O200 O 0.8894(4) 0.0560(2) 0.2263(4) 0.0317(18) Uani 1 1 d .
O60 O 0.6347(5) 0.1100(2) -0.4313(4) 0.0349(19) Uani 1 1 d .
C42 C 0.9583(6) -0.1932(3) 0.5583(6) 0.021(2) Uani 1 1 d .
H42A H 0.9566 -0.1662 0.5784 0.026 Uiso 1 1 calc R
H42B H 0.9701 -0.1909 0.5102 0.026 Uiso 1 1 calc R
O64 O 0.4730(4) 0.1189(2) -0.6227(4) 0.0337(18) Uani 1 1 d .
O2 O 0.6800(4) -0.01313(18) 0.0573(4) 0.0263(16) Uani 1 1 d .
O203 O 0.8933(5) 0.1207(2) 0.3197(4) 0.0365(19) Uani 1 1 d .
N1 N 0.6122(5) 0.0334(2) -0.0672(4) 0.0164(17) Uani 1 1 d .
O103 O 0.6224(5) 0.2354(2) -0.3635(4) 0.0342(18) Uani 1 1 d .
O202 O 0.6254(5) 0.1196(2) 0.1363(4) 0.0369(19) Uani 1 1 d .
C25 C 0.7963(6) 0.1514(3) 0.1296(5) 0.016(2) Uani 1 1 d .
C83 C 0.6817(6) -0.1033(3) 0.5588(5) 0.018(2) Uani 1 1 d .
O80 O 0.6827(5) -0.14325(19) 0.3533(4) 0.0263(17) Uani 1 1 d .
O304 O 0.8927(5) -0.0695(2) 0.7116(4) 0.0350(19) Uani 1 1 d .
C61 C 0.6713(6) 0.1426(3) -0.4107(5) 0.017(2) Uani 1 1 d .
O102 O 0.8901(5) 0.24383(19) -0.1769(4) 0.0333(18) Uani 1 1 d .
O41 O 1.0892(5) -0.2002(2) 0.6648(5) 0.039(2) Uani 1 1 d .
C80 C 0.5233(7) -0.0720(3) 0.3662(6) 0.034(3) Uani 1 1 d .
H80A H 0.5304 -0.0501 0.3337 0.041 Uiso 1 1 calc R
H80B H 0.4933 -0.0615 0.3981 0.041 Uiso 1 1 calc R
O21 O 0.7993(5) 0.16487(19) -0.1543(4) 0.0261(16) Uani 1 1 d .
O24 O 0.7749(5) 0.1627(2) 0.1840(4) 0.0311(18) Uani 1 1 d .
O303 O 0.6286(4) -0.0080(2) 0.6295(4) 0.0319(18) Uani 1 1 d .
C2 C 0.6820(6) 0.0236(3) 0.0742(5) 0.019(2) Uani 1 1 d .
C71 C 0.8270(6) 0.2758(3) -0.5717(6) 0.022(2) Uani 1 1 d .
C55 C 0.7951(6) 0.0225(3) 0.6141(5) 0.015(2) Uani 1 1 d .
O104 O 0.8828(5) 0.1714(2) -0.2578(4) 0.0368(19) Uani 1 1 d .
C43 C 1.0265(6) -0.2174(3) 0.6190(6) 0.024(2) Uani 1 1 d .
N5 N 0.8860(5) 0.0436(2) 0.5413(4) 0.0172(17) Uani 1 1 d .
C41 C 0.8266(6) -0.2294(3) 0.3992(6) 0.024(2) Uani 1 1 d .
O43 O 0.7952(5) -0.21877(19) 0.3287(4) 0.0306(18) Uani 1 1 d .
C85 C 0.6963(6) -0.1068(3) 0.3439(5) 0.023(2) Uani 1 1 d .
N7 N 0.8919(5) 0.2881(2) -0.4303(4) 0.0181(18) Uani 1 1 d .
C24 C 0.8160(6) 0.1820(3) 0.0767(6) 0.024(2) Uani 1 1 d .
H24A H 0.7675 0.1850 0.0279 0.029 Uiso 1 1 calc R
H24B H 0.8270 0.2080 0.1031 0.029 Uiso 1 1 calc R
O73 O 1.0762(5) 0.2691(3) -0.2538(4) 0.045(2) Uani 1 1 d .
C74 C 0.8205(6) 0.3010(3) -0.4091(6) 0.022(2) Uani 1 1 d .
H74A H 0.7723 0.3058 -0.4572 0.026 Uiso 1 1 calc R
H74B H 0.8347 0.3261 -0.3801 0.026 Uiso 1 1 calc R
O72 O 0.9886(5) 0.2280(2) -0.3442(4) 0.039(2) Uani 1 1 d .
O100 O 0.6306(5) 0.1887(2) -0.2385(4) 0.0363(19) Uani 1 1 d .
O300 O 0.6481(5) -0.0735(3) 0.7317(4) 0.049(2) Uani 1 1 d .
O400 O 0.8692(5) -0.1852(2) 0.2213(4) 0.042(2) Uani 1 1 d .
O61 O 0.7074(5) 0.1546(2) -0.3396(4) 0.0290(17) Uani 1 1 d .
C63 C 0.6873(6) 0.1307(3) -0.6354(5) 0.017(2) Uani 1 1 d .
C73 C 1.0165(7) 0.2627(3) -0.3161(6) 0.031(3) Uani 1 1 d .
N2 N 0.8901(5) 0.1699(2) 0.0574(4) 0.0154(17) Uani 1 1 d .
O23 O 1.0638(5) 0.1537(2) 0.2406(4) 0.042(2) Uani 1 1 d .
C20 C 0.8793(6) 0.1843(3) -0.0232(5) 0.016(2) Uani 1 1 d .
H20A H 0.9339 0.1884 -0.0266 0.019 Uiso 1 1 calc R
H20B H 0.8498 0.2099 -0.0332 0.019 Uiso 1 1 calc R
C60 C 0.6792(6) 0.1697(3) -0.4748(5) 0.026(2) Uani 1 1 d .
H60A H 0.6716 0.1975 -0.4627 0.031 Uiso 1 1 calc R
H60B H 0.7350 0.1669 -0.4764 0.031 Uiso 1 1 calc R
O404 O 0.8787(5) -0.1391(2) 0.3512(5) 0.051(2) Uani 1 1 d .
C50 C 0.8780(6) 0.0597(3) 0.4623(5) 0.021(2) Uani 1 1 d .
H50A H 0.9334 0.0651 0.4616 0.026 Uiso 1 1 calc R
H50B H 0.8471 0.0849 0.4527 0.026 Uiso 1 1 calc R
O302 O 0.8926(5) -0.0052(2) 0.8097(5) 0.053(2) Uani 1 1 d .
O403 O 0.6113(5) -0.1322(2) 0.1540(4) 0.040(2) Uani 1 1 d .
C84 C 0.6731(8) -0.0751(3) 0.3908(7) 0.038(3) Uani 1 1 d .
H84A H 0.7226 -0.0686 0.4367 0.045 Uiso 1 1 calc R
H84B H 0.6569 -0.0509 0.3586 0.045 Uiso 1 1 calc R
C23 C 1.0071(7) 0.1470(3) 0.1761(6) 0.028(2) Uani 1 1 d .
C40 C 0.8157(6) -0.2026(3) 0.4618(5) 0.021(2) Uani 1 1 d .
H40E H 0.8236 -0.1747 0.4502 0.025 Uiso 1 1 calc R
H40F H 0.7590 -0.2054 0.4612 0.025 Uiso 1 1 calc R
O81 O 0.7340(5) -0.0963(2) 0.3002(4) 0.036(2) Uani 1 1 d .
O84 O 0.4091(5) -0.0947(2) 0.2562(5) 0.046(2) Uani 1 1 d .
O405 O 0.6196(5) -0.2028(2) 0.2442(4) 0.044(2) Uani 1 1 d .
C1 C 0.6337(7) 0.0533(3) 0.0092(5) 0.023(2) Uani 1 1 d .
H1A H 0.5830 0.0620 0.0167 0.028 Uiso 1 1 calc R
H1B H 0.6680 0.0768 0.0113 0.028 Uiso 1 1 calc R
C22 C 0.9695(6) 0.1814(3) 0.1204(5) 0.023(2) Uani 1 1 d .
H22A H 0.9594 0.2039 0.1501 0.028 Uiso 1 1 calc R
H22B H 1.0091 0.1902 0.0968 0.028 Uiso 1 1 calc R
C35 C 0.8025(7) -0.1145(3) 1.1111(6) 0.027(3) Uani 1 1 d .
C32 C 0.9634(7) -0.0661(3) 1.0621(6) 0.031(3) Uani 1 1 d .
H32A H 0.9617 -0.0391 1.0822 0.037 Uiso 1 1 calc R
H32B H 0.9831 -0.0640 1.0185 0.037 Uiso 1 1 calc R
C64 C 0.5358(6) 0.1803(3) -0.5664(6) 0.028(2) Uani 1 1 d .
H64A H 0.5381 0.2070 -0.5872 0.034 Uiso 1 1 calc R
H64B H 0.5268 0.1832 -0.5169 0.034 Uiso 1 1 calc R
C81 C 0.4722(7) -0.1038(3) 0.3141(6) 0.029(2) Uani 1 1 d .
O4 O 0.4778(5) -0.0163(3) -0.1177(5) 0.047(2) Uani 1 1 d .
C33 C 1.0239(6) -0.0920(3) 1.1273(6) 0.027(2) Uani 1 1 d .
C70 C 0.8825(6) 0.3041(3) -0.5087(5) 0.019(2) Uani 1 1 d .
H70A H 0.9372 0.3063 -0.5131 0.023 Uiso 1 1 calc R
H70B H 0.8575 0.3307 -0.5156 0.023 Uiso 1 1 calc R
C53 C 1.0084(7) 0.0191(4) 0.6571(6) 0.037(3) Uani 1 1 d .
C82 C 0.6266(7) -0.0720(3) 0.5011(5) 0.025(2) Uani 1 1 d .
H82A H 0.5754 -0.0679 0.5115 0.030 Uiso 1 1 calc R
H82B H 0.6563 -0.0465 0.5088 0.030 Uiso 1 1 calc R
C52 C 0.9643(7) 0.0553(3) 0.6070(6) 0.032(3) Uani 1 1 d .
H52A H 0.9510 0.0748 0.6406 0.038 Uiso 1 1 calc R
H52B H 1.0021 0.0681 0.5854 0.038 Uiso 1 1 calc R
C54 C 0.8107(7) 0.0536(3) 0.5586(6) 0.024(2) Uani 1 1 d .
H54A H 0.7623 0.0546 0.5095 0.029 Uiso 1 1 calc R
H54B H 0.8177 0.0801 0.5830 0.029 Uiso 1 1 calc R
C44 C 0.8428(6) -0.2057(3) 0.6043(5) 0.020(2) Uani 1 1 d .
H44A H 0.7996 -0.1851 0.5868 0.024 Uiso 1 1 calc R
H44B H 0.8875 -0.1958 0.6513 0.024 Uiso 1 1 calc R
O33 O 1.0833(5) -0.0760(2) 1.1785(5) 0.049(2) Uani 1 1 d .
O50 O 1.0649(5) 0.0257(3) 0.7214(5) 0.055(2) Uani 1 1 d .
C62 C 0.6466(7) 0.1671(3) -0.6170(5) 0.021(2) Uani 1 1 d .
H62A H 0.6867 0.1891 -0.6019 0.025 Uiso 1 1 calc R
H62B H 0.5997 0.1753 -0.6639 0.025 Uiso 1 1 calc R
C4 C 0.4651(7) 0.0177(4) -0.1521(7) 0.044(3) Uani 1 1 d .
O85 O 0.4952(5) -0.1404(2) 0.3324(4) 0.0391(19) Uani 1 1 d .
C3 C 0.5340(7) 0.0488(3) -0.1274(6) 0.038(3) Uani 1 1 d .
H3A H 0.5453 0.0574 -0.1736 0.045 Uiso 1 1 calc R
H3B H 0.5151 0.0721 -0.1064 0.045 Uiso 1 1 calc R
C30 C 0.8286(8) -0.0696(3) 0.9527(6) 0.036(3) Uani 1 1 d .
H30E H 0.8454 -0.0425 0.9448 0.044 Uiso 1 1 calc R
H30F H 0.7699 -0.0688 0.9467 0.044 Uiso 1 1 calc R
C34 C 0.8400(7) -0.0762(3) 1.0921(6) 0.030(3) Uani 1 1 d .
H34A H 0.7961 -0.0562 1.0715 0.036 Uiso 1 1 calc R
H34B H 0.8816 -0.0656 1.1404 0.036 Uiso 1 1 calc R
O3 O 0.4002(7) 0.0243(3) -0.2112(6) 0.083(3) Uani 1 1 d U
O5 O 0.6448(5) -0.03013(19) -0.1443(4) 0.0316(18) Uani 1 1 d .
O65 O 0.3997(5) 0.1749(2) -0.6683(5) 0.041(2) Uani 1 1 d .
O209 O 0.6380(5) 0.0616(2) 0.2470(4) 0.0388(19) Uani 1 1 d .
C45 C 0.8061(6) -0.2438(3) 0.6247(6) 0.019(2) Uani 1 1 d .
C65 C 0.4635(6) 0.1568(3) -0.6252(6) 0.025(2) Uani 1 1 d .
C5 C 0.6824(6) 0.0356(3) -0.0968(6) 0.023(2) Uani 1 1 d .
H5A H 0.7353 0.0359 -0.0519 0.028 Uiso 1 1 calc R
H5B H 0.6782 0.0606 -0.1254 0.028 Uiso 1 1 calc R
O6 O 0.7246(4) 0.00540(18) -0.1942(4) 0.0233(16) Uani 1 1 d .
C6 C 0.6828(6) 0.0006(3) -0.1508(5) 0.020(2) Uani 1 1 d .
O35 O 0.7721(5) -0.1118(2) 1.1640(4) 0.0315(18) Uani 1 1 d .
O45 O 0.7719(4) -0.23984(18) 0.6741(4) 0.0233(16) Uani 1 1 d .
O75 O 0.7963(5) 0.2889(2) -0.6410(4) 0.0339(19) Uani 1 1 d .
O63 O 0.7256(5) 0.13461(18) -0.6817(4) 0.0242(16) Uani 1 1 d .
O500 O 0.988(2) 0.3923(13) -0.298(3) 0.45(2) Uani 1 1 d .
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'
Cu Cu 0.3201 1.2651 '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'
K K 0.2009 0.2494 '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 O52 84.4(2) . .
O1 Gd1 O63 144.5(2) . 1_556
O52 Gd1 O63 88.9(2) . 1_556
O1 Gd1 O203 138.2(2) . .
O52 Gd1 O203 78.9(2) . .
O63 Gd1 O203 73.5(2) 1_556 .
O1 Gd1 O209 72.3(2) . .
O52 Gd1 O209 69.9(3) . .
O63 Gd1 O209 72.7(2) 1_556 .
O203 Gd1 O209 133.7(2) . .
O1 Gd1 O25 77.6(2) . .
O52 Gd1 O25 138.4(2) . .
O63 Gd1 O25 126.4(2) 1_556 .
O203 Gd1 O25 90.1(2) . .
O209 Gd1 O25 135.7(2) . .
O1 Gd1 O200 71.4(2) . .
O52 Gd1 O200 69.7(2) . .
O63 Gd1 O200 137.7(2) 1_556 .
O203 Gd1 O200 66.9(2) . .
O209 Gd1 O200 127.3(2) . .
O25 Gd1 O200 69.0(2) . .
O1 Gd1 O202 81.2(2) . .
O52 Gd1 O202 136.5(2) . .
O63 Gd1 O202 79.9(2) 1_556 .
O203 Gd1 O202 135.2(2) . .
O209 Gd1 O202 66.6(2) . .
O25 Gd1 O202 77.4(2) . .
O200 Gd1 O202 140.2(2) . .
O1 Gd1 O24 123.5(2) . .
O52 Gd1 O24 149.4(2) . .
O63 Gd1 O24 75.1(2) 1_556 .
O203 Gd1 O24 71.7(2) . .
O209 Gd1 O24 126.9(2) . .
O25 Gd1 O24 51.36(19) . .
O200 Gd1 O24 105.0(2) . .
O202 Gd1 O24 67.0(2) . .
O1 Gd1 C25 101.7(2) . .
O52 Gd1 C25 152.2(3) . .
O63 Gd1 C25 100.4(2) 1_556 .
O203 Gd1 C25 78.8(3) . .
O209 Gd1 C25 137.9(3) . .
O25 Gd1 C25 26.1(2) . .
O200 Gd1 C25 86.3(2) . .
O202 Gd1 C25 71.3(2) . .
O24 Gd1 C25 25.3(2) . .
O1 Gd1 K4 40.03(16) . .
O52 Gd1 K4 44.45(16) . .
O63 Gd1 K4 125.52(15) 1_556 .
O203 Gd1 K4 112.15(17) . .
O209 Gd1 K4 66.25(18) . .
O25 Gd1 K4 108.04(14) . .
O200 Gd1 K4 61.28(17) . .
O202 Gd1 K4 112.62(17) . .
O24 Gd1 K4 159.39(14) . .
C25 Gd1 K4 134.09(18) . .
O1 Gd1 K1 149.02(17) . .
O52 Gd1 K1 124.02(16) . .
O63 Gd1 K1 40.53(14) 1_556 .
O203 Gd1 K1 66.73(17) . .
O209 Gd1 K1 103.90(18) . .
O25 Gd1 K1 85.93(13) . .
O200 Gd1 K1 126.55(17) . .
O202 Gd1 K1 69.57(17) . .
O24 Gd1 K1 34.57(14) . .
C25 Gd1 K1 59.87(18) . .
K4 Gd1 K1 166.03(4) . .
O21 Gd2 O61 84.2(2) . .
O21 Gd2 O45 89.7(2) . 2_655
O61 Gd2 O45 144.7(2) . 2_655
O21 Gd2 O102 81.9(2) . .
O61 Gd2 O102 140.8(2) . .
O45 Gd2 O102 71.7(2) 2_655 .
O21 Gd2 O100 72.0(2) . .
O61 Gd2 O100 72.4(2) . .
O45 Gd2 O100 72.6(2) 2_655 .
O102 Gd2 O100 135.4(2) . .
O21 Gd2 O104 68.7(2) . .
O61 Gd2 O104 72.1(3) . .
O45 Gd2 O104 136.9(2) 2_655 .
O102 Gd2 O104 68.7(2) . .
O100 Gd2 O104 128.8(3) . .
O21 Gd2 O103 136.9(2) . .
O61 Gd2 O103 75.9(2) . .
O45 Gd2 O103 85.5(2) 2_655 .
O102 Gd2 O103 135.6(2) . .
O100 Gd2 O103 65.7(2) . .
O104 Gd2 O103 135.7(2) . .
O21 Gd2 O71 150.1(2) . .
O61 Gd2 O71 124.7(2) . .
O45 Gd2 O71 71.2(2) 2_655 .
O102 Gd2 O71 70.5(2) . .
O100 Gd2 O71 120.7(2) . .
O104 Gd2 O71 109.7(2) . .
O103 Gd2 O71 66.1(2) . .
O21 Gd2 O70 137.0(2) . .
O61 Gd2 O70 83.3(2) . .
O45 Gd2 O70 122.4(2) 2_655 .
O102 Gd2 O70 82.4(2) . .
O100 Gd2 O70 140.4(2) . .
O104 Gd2 O70 68.2(2) . .
O103 Gd2 O70 78.5(2) . .
O71 Gd2 O70 51.66(19) . .
O21 Gd2 C75 151.6(3) . .
O61 Gd2 C75 105.5(2) . .
O45 Gd2 C75 96.3(2) 2_655 .
O102 Gd2 C75 73.8(2) . .
O100 Gd2 C75 136.2(3) . .
O104 Gd2 C75 88.6(3) . .
O103 Gd2 C75 71.4(2) . .
O71 Gd2 C75 25.5(2) . .
O70 Gd2 C75 26.2(2) . .
O21 Gd2 K3 43.06(16) . 1_554
O61 Gd2 K3 41.20(16) . 1_554
O45 Gd2 K3 124.98(15) 2_655 1_554
O102 Gd2 K3 114.83(17) . 1_554
O100 Gd2 K3 67.42(18) . 1_554
O104 Gd2 K3 61.48(18) . 1_554
O103 Gd2 K3 109.47(17) . 1_554
O71 Gd2 K3 163.65(14) . 1_554
O70 Gd2 K3 112.55(13) . 1_554
C75 Gd2 K3 138.72(19) . 1_554
O21 Gd2 K2 125.23(16) . .
O61 Gd2 K2 146.42(17) . .
O45 Gd2 K2 39.04(15) 2_655 .
O102 Gd2 K2 67.03(16) . .
O100 Gd2 K2 99.56(18) . .
O104 Gd2 K2 129.82(18) . .
O103 Gd2 K2 71.30(17) . .
O71 Gd2 K2 32.12(14) . .
O70 Gd2 K2 83.62(13) . .
C75 Gd2 K2 57.41(19) . .
K3 Gd2 K2 163.79(4) 1_554 .
O31 Gd3 O82 87.8(2) . .
O31 Gd3 O6 88.3(2) . 1_556
O82 Gd3 O6 144.5(2) . 1_556
O31 Gd3 O300 70.6(3) . .
O82 Gd3 O300 68.4(2) . .
O6 Gd3 O300 77.0(2) 1_556 .
O31 Gd3 O302 75.8(3) . .
O82 Gd3 O302 139.8(3) . .
O6 Gd3 O302 72.5(3) 1_556 .
O300 Gd3 O302 134.8(3) . .
O31 Gd3 O304 70.2(2) . .
O82 Gd3 O304 71.3(2) . .
O6 Gd3 O304 139.0(2) 1_556 .
O300 Gd3 O304 123.8(3) . .
O302 Gd3 O304 68.6(3) . .
O31 Gd3 O303 139.6(3) . .
O82 Gd3 O303 83.4(2) . .
O6 Gd3 O303 77.0(2) 1_556 .
O300 Gd3 O303 69.5(3) . .
O302 Gd3 O303 131.8(3) . .
O304 Gd3 O303 140.8(2) . .
O31 Gd3 O54 146.2(2) . .
O82 Gd3 O54 121.8(2) . .
O6 Gd3 O54 76.4(2) 1_556 .
O300 Gd3 O54 132.2(3) . .
O302 Gd3 O54 70.9(3) . .
O304 Gd3 O54 102.1(2) . .
O303 Gd3 O54 66.2(2) . .
O31 Gd3 O56 137.2(2) . .
O82 Gd3 O56 76.1(2) . .
O6 Gd3 O56 126.9(2) 1_556 .
O300 Gd3 O56 133.9(2) . .
O302 Gd3 O56 91.3(3) . .
O304 Gd3 O56 67.1(2) . .
O303 Gd3 O56 78.3(2) . .
O54 Gd3 O56 50.69(19) . .
O31 Gd3 C55 149.6(3) . .
O82 Gd3 C55 99.4(2) . .
O6 Gd3 C55 101.5(2) 1_556 .
O300 Gd3 C55 139.4(3) . .
O302 Gd3 C55 79.9(3) . .
O304 Gd3 C55 84.1(2) . .
O303 Gd3 C55 70.7(2) . .
O54 Gd3 C55 25.2(2) . .
O56 Gd3 C55 25.5(2) . .
O31 Gd3 K2 44.97(17) . 2_645
O82 Gd3 K2 42.96(15) . 2_645
O6 Gd3 K2 121.97(15) 1_556 2_645
O300 Gd3 K2 58.4(2) . 2_645
O302 Gd3 K2 113.5(2) . 2_645
O304 Gd3 K2 65.34(17) . 2_645
O303 Gd3 K2 114.17(17) . 2_645
O54 Gd3 K2 161.61(15) . 2_645
O56 Gd3 K2 110.92(14) . 2_645
C55 Gd3 K2 136.43(18) . 2_645
O31 Gd3 K3 121.29(17) . .
O82 Gd3 K3 149.87(15) . .
O6 Gd3 K3 41.75(15) 1_556 .
O300 Gd3 K3 111.4(2) . .
O302 Gd3 K3 62.9(2) . .
O304 Gd3 K3 123.06(18) . .
O303 Gd3 K3 69.42(17) . .
O54 Gd3 K3 34.91(15) . .
O56 Gd3 K3 85.58(14) . .
C55 Gd3 K3 60.07(18) . .
K2 Gd3 K3 163.43(4) 2_645 .
O43 Gd4 O75 84.5(2) . 2_644
O43 Gd4 O35 145.4(3) . 1_554
O75 Gd4 O35 92.9(2) 2_644 1_554
O43 Gd4 O81 120.7(2) . .
O75 Gd4 O81 153.6(3) 2_644 .
O35 Gd4 O81 71.2(2) 1_554 .
O43 Gd4 O403 142.8(3) . .
O75 Gd4 O403 80.2(3) 2_644 .
O35 Gd4 O403 69.5(2) 1_554 .
O81 Gd4 O403 74.5(3) . .
O43 Gd4 O405 72.8(3) . .
O75 Gd4 O405 69.3(2) 2_644 .
O35 Gd4 O405 138.1(3) 1_554 .
O81 Gd4 O405 108.3(3) . .
O403 Gd4 O405 70.2(3) . .
O43 Gd4 O400 73.5(2) . .
O75 Gd4 O400 70.2(3) 2_644 .
O35 Gd4 O400 73.1(2) 1_554 .
O81 Gd4 O400 121.8(3) . .
O403 Gd4 O400 130.5(2) . .
O405 Gd4 O400 128.9(3) . .
O43 Gd4 O404 73.9(3) . .
O75 Gd4 O404 135.6(3) 2_644 .
O35 Gd4 O404 84.5(3) 1_554 .
O81 Gd4 O404 65.6(3) . .
O403 Gd4 O404 137.7(3) . .
O405 Gd4 O404 134.9(3) . .
O400 Gd4 O404 66.6(3) . .
O43 Gd4 O80 82.6(2) . .
O75 Gd4 O80 134.1(2) 2_644 .
O35 Gd4 O80 121.2(2) 1_554 .
O81 Gd4 O80 51.1(2) . .
O403 Gd4 O80 84.1(2) . .
O405 Gd4 O80 64.8(2) . .
O400 Gd4 O80 144.3(2) . .
O404 Gd4 O80 81.7(2) . .
O43 Gd4 C85 103.5(2) . .
O75 Gd4 C85 150.6(3) 2_644 .
O35 Gd4 C85 95.7(3) 1_554 .
O81 Gd4 C85 25.3(2) . .
O403 Gd4 C85 76.6(3) . .
O405 Gd4 C85 85.9(3) . .
O400 Gd4 C85 139.1(3) . .
O404 Gd4 C85 73.4(3) . .
O80 Gd4 C85 25.9(2) . .
O43 Gd4 K1 41.44(16) . 2_645
O75 Gd4 K1 43.09(17) 2_644 2_645
O35 Gd4 K1 127.52(16) 1_554 2_645
O81 Gd4 K1 160.49(16) . 2_645
O403 Gd4 K1 115.01(17) . 2_645
O405 Gd4 K1 62.9(2) . 2_645
O400 Gd4 K1 66.35(19) . 2_645
O404 Gd4 K1 107.24(19) . 2_645
O80 Gd4 K1 111.14(14) . 2_645
C85 Gd4 K1 136.8(2) . 2_645
O43 Gd4 K4 142.25(17) . .
O75 Gd4 K4 129.79(16) 2_644 .
O35 Gd4 K4 40.06(16) 1_554 .
O81 Gd4 K4 31.13(15) . .
O403 Gd4 K4 68.75(17) . .
O405 Gd4 K4 128.8(2) . .
O400 Gd4 K4 101.06(18) . .
O404 Gd4 K4 69.94(19) . .
O80 Gd4 K4 81.83(14) . .
C85 Gd4 K4 56.0(2) . .
K1 Gd4 K4 166.51(4) 2_645 .
N6 Cu5 O60 83.0(3) . .
N6 Cu5 O64 82.0(3) . .
O60 Cu5 O64 121.9(3) . .
N6 Cu5 O62 81.5(3) . .
O60 Cu5 O62 120.1(3) . .
O64 Cu5 O62 112.5(3) . .
N6 Cu5 Cl6 177.9(2) . .
O60 Cu5 Cl6 97.5(2) . .
O64 Cu5 Cl6 99.4(2) . .
O62 Cu5 Cl6 96.53(19) . .
O72 Cu6 O74 159.0(3) . .
O72 Cu6 N7 85.6(3) . .
O74 Cu6 N7 81.8(3) . .
O72 Cu6 Cl7 92.4(2) . .
O74 Cu6 Cl7 98.9(2) . .
N7 Cu6 Cl7 175.7(2) . .
O72 Cu6 O70 89.5(3) . .
O74 Cu6 O70 104.9(3) . .
N7 Cu6 O70 81.0(3) . .
Cl7 Cu6 O70 102.83(16) . .
O30 Cu7 N3 84.0(3) . .
O30 Cu7 O34 120.3(3) . .
N3 Cu7 O34 82.5(3) . .
O30 Cu7 O32 130.0(3) . .
N3 Cu7 O32 80.9(3) . .
O34 Cu7 O32 104.6(3) . .
O30 Cu7 Cl3 98.9(2) . .
N3 Cu7 Cl3 176.4(2) . .
O34 Cu7 Cl3 94.2(2) . .
O32 Cu7 Cl3 98.71(19) . .
O51 Cu3 O53 155.0(3) . .
O51 Cu3 N5 85.3(3) . .
O53 Cu3 N5 83.6(3) . .
O51 Cu3 Cl5 94.6(3) . .
O53 Cu3 Cl5 96.2(2) . .
N5 Cu3 Cl5 179.3(2) . .
O51 Cu3 O56 90.3(3) . .
O53 Cu3 O56 109.8(3) . .
N5 Cu3 O56 80.6(3) . .
Cl5 Cu3 O56 100.11(17) . .
O22 Cu2 O20 158.5(3) . .
O22 Cu2 N2 84.2(3) . .
O20 Cu2 N2 82.9(3) . .
O22 Cu2 Cl2 92.8(2) . .
O20 Cu2 Cl2 99.4(2) . .
N2 Cu2 Cl2 176.3(2) . .
O22 Cu2 O25 89.4(3) . .
O20 Cu2 O25 105.7(3) . .
N2 Cu2 O25 82.2(2) . .
Cl2 Cu2 O25 99.98(16) . .
O85 Cu8 O83 157.3(3) . .
O85 Cu8 N8 83.9(3) . .
O83 Cu8 N8 83.5(3) . .
O85 Cu8 Cl8 93.2(2) . .
O83 Cu8 Cl8 98.4(2) . .
N8 Cu8 Cl8 176.5(2) . .
O85 Cu8 O80 94.5(3) . .
O83 Cu8 O80 102.4(3) . .
N8 Cu8 O80 82.0(3) . .
Cl8 Cu8 O80 100.39(18) . .
O4 Cu1 O2 144.7(3) . .
O4 Cu1 N1 86.2(3) . .
O2 Cu1 N1 82.2(3) . .
O4 Cu1 O5 96.2(3) . .
O2 Cu1 O5 113.9(3) . .
N1 Cu1 O5 79.0(3) . .
O4 Cu1 Cl1 96.4(3) . .
O2 Cu1 Cl1 95.8(2) . .
N1 Cu1 Cl1 177.4(3) . .
O5 Cu1 Cl1 100.35(19) . .
N4 Cu4 O42 83.1(3) . .
N4 Cu4 O44 82.4(3) . .
O42 Cu4 O44 122.2(3) . .
N4 Cu4 O40 81.5(3) . .
O42 Cu4 O40 121.9(3) . .
O44 Cu4 O40 110.6(3) . .
N4 Cu4 Cl4 177.8(2) . .
O42 Cu4 Cl4 98.4(2) . .
O44 Cu4 Cl4 95.4(2) . .
O40 Cu4 Cl4 98.98(19) . .
O24 K1 O41 71.9(2) . 3_756
O24 K1 O43 99.6(2) . 2_655
O41 K1 O43 112.8(2) 3_756 2_655
O24 K1 O73 116.4(2) . 4_566
O41 K1 O73 167.0(2) 3_756 4_566
O43 K1 O73 76.8(2) 2_655 4_566
O24 K1 O75 146.0(2) . 1_556
O41 K1 O75 82.4(2) 3_756 1_556
O43 K1 O75 70.06(19) 2_655 1_556
O73 K1 O75 93.3(2) 4_566 1_556
O24 K1 O63 66.05(19) . 1_556
O41 K1 O63 84.1(2) 3_756 1_556
O43 K1 O63 154.1(2) 2_655 1_556
O73 K1 O63 90.2(2) 4_566 1_556
O75 K1 O63 133.85(19) 1_556 1_556
O24 K1 O74 136.1(2) . 1_556
O41 K1 O74 69.5(2) 3_756 1_556
O43 K1 O74 114.06(19) 2_655 1_556
O73 K1 O74 98.9(2) 4_566 1_556
O75 K1 O74 44.23(17) 1_556 1_556
O63 K1 O74 89.77(18) 1_556 1_556
O24 K1 C71 144.7(3) . 1_556
O41 K1 C71 72.9(2) 3_756 1_556
O43 K1 C71 91.9(2) 2_655 1_556
O73 K1 C71 98.7(2) 4_566 1_556
O75 K1 C71 21.9(2) 1_556 1_556
O63 K1 C71 112.3(2) 1_556 1_556
O74 K1 C71 22.57(19) 1_556 1_556
O24 K1 O42 69.8(2) . 2_655
O41 K1 O42 123.9(2) 3_756 2_655
O43 K1 O42 40.09(17) 2_655 2_655
O73 K1 O42 69.1(2) 4_566 2_655
O75 K1 O42 109.77(18) 1_556 2_655
O63 K1 O42 114.39(18) 1_556 2_655
O74 K1 O42 152.27(18) 1_556 2_655
C71 K1 O42 131.5(2) 1_556 2_655
O24 K1 C41 82.5(2) . 2_655
O41 K1 C41 116.2(2) 3_756 2_655
O43 K1 C41 19.6(2) 2_655 2_655
O73 K1 C41 75.9(2) 4_566 2_655
O75 K1 C41 89.7(2) 1_556 2_655
O63 K1 C41 135.5(2) 1_556 2_655
O74 K1 C41 133.7(2) 1_556 2_655
C71 K1 C41 111.5(2) 1_556 2_655
O42 K1 C41 21.20(19) 2_655 2_655
O24 K1 C62 106.6(2) . 1_556
O41 K1 C62 108.9(2) 3_756 1_556
O43 K1 C62 135.8(2) 2_655 1_556
O73 K1 C62 59.9(2) 4_566 1_556
O75 K1 C62 102.5(2) 1_556 1_556
O63 K1 C62 42.61(19) 1_556 1_556
O74 K1 C62 68.2(2) 1_556 1_556
C71 K1 C62 86.8(2) 1_556 1_556
O42 K1 C62 120.3(2) 2_655 1_556
C41 K1 C62 134.5(3) 2_655 1_556
O24 K1 Gd4 126.61(15) . 2_655
O41 K1 Gd4 98.28(16) 3_756 2_655
O43 K1 Gd4 34.78(13) 2_655 2_655
O73 K1 Gd4 84.81(18) 4_566 2_655
O75 K1 Gd4 35.30(13) 1_556 2_655
O63 K1 Gd4 167.26(13) 1_556 2_655
O74 K1 Gd4 79.46(12) 1_556 2_655
C71 K1 Gd4 57.16(17) 1_556 2_655
O42 K1 Gd4 74.72(11) 2_655 2_655
C41 K1 Gd4 54.36(17) 2_655 2_655
C62 K1 Gd4 125.63(15) 1_556 2_655
O71 K2 O65 71.3(2) . 4_666
O71 K2 O23 110.8(2) . 4_565
O65 K2 O23 162.4(2) 4_666 4_565
O71 K2 O82 154.6(2) . 2_655
O65 K2 O82 83.9(2) 4_666 2_655
O23 K2 O82 94.6(2) 4_565 2_655
O71 K2 O31 115.3(2) . 2_655
O65 K2 O31 118.4(2) 4_666 2_655
O23 K2 O31 77.2(2) 4_565 2_655
O82 K2 O31 71.15(19) 2_655 2_655
O71 K2 O45 61.76(18) . 2_655
O65 K2 O45 79.5(2) 4_666 2_655
O23 K2 O45 86.3(2) 4_565 2_655
O82 K2 O45 120.26(19) 2_655 2_655
O31 K2 O45 161.0(2) 2_655 2_655
O71 K2 O30 77.9(2) . 2_655
O65 K2 O30 125.1(2) 4_666 2_655
O23 K2 O30 71.5(2) 4_565 2_655
O82 K2 O30 113.56(19) 2_655 2_655
O31 K2 O30 42.51(18) 2_655 2_655
O45 K2 O30 122.92(19) 2_655 2_655
O71 K2 C31 94.8(2) . 2_655
O65 K2 C31 119.8(3) 4_666 2_655
O23 K2 C31 77.7(2) 4_565 2_655
O82 K2 C31 92.4(2) 2_655 2_655
O31 K2 C31 21.48(19) 2_655 2_655
O45 K2 C31 144.8(2) 2_655 2_655
O30 K2 C31 21.92(19) 2_655 2_655
O71 K2 C44 102.5(2) . 2_655
O65 K2 C44 102.0(2) 4_666 2_655
O23 K2 C44 60.4(2) 4_565 2_655
O82 K2 C44 88.0(2) 2_655 2_655
O31 K2 C44 131.0(2) 2_655 2_655
O45 K2 C44 42.04(19) 2_655 2_655
O30 K2 C44 128.7(2) 2_655 2_655
C31 K2 C44 138.0(3) 2_655 2_655
O71 K2 C83 142.3(2) . 2_655
O65 K2 C83 72.2(2) 4_666 2_655
O23 K2 C83 101.2(2) 4_565 2_655
O82 K2 C83 19.4(2) 2_655 2_655
O31 K2 C83 90.4(2) 2_655 2_655
O45 K2 C83 102.2(2) 2_655 2_655
O30 K2 C83 132.9(2) 2_655 2_655
C31 K2 C83 111.6(2) 2_655 2_655
C44 K2 C83 76.0(2) 2_655 2_655
O71 K2 Gd3 143.46(15) . 2_655
O65 K2 Gd3 101.58(16) 4_666 2_655
O23 K2 Gd3 86.77(18) 4_565 2_655
O82 K2 Gd3 35.78(13) 2_655 2_655
O31 K2 Gd3 35.46(13) 2_655 2_655
O45 K2 Gd3 154.13(13) 2_655 2_655
O30 K2 Gd3 77.96(13) 2_655 2_655
C31 K2 Gd3 56.64(16) 2_655 2_655
C44 K2 Gd3 114.03(16) 2_655 2_655
C83 K2 Gd3 54.99(16) 2_655 2_655
O71 K2 Gd2 30.75(14) . .
O65 K2 Gd2 73.35(15) 4_666 .
O23 K2 Gd2 99.44(18) 4_565 .
O82 K2 Gd2 145.44(15) 2_655 .
O31 K2 Gd2 142.81(14) 2_655 .
O45 K2 Gd2 31.01(12) 2_655 .
O30 K2 Gd2 100.85(13) 2_655 .
C31 K2 Gd2 121.33(17) 2_655 .
C44 K2 Gd2 72.18(15) 2_655 .
C83 K2 Gd2 126.08(16) 2_655 .
Gd3 K2 Gd2 173.00(6) 2_655 .
O84 K3 O54 110.8(3) 3_656 .
O84 K3 O33 165.0(3) 3_656 3_757
O54 K3 O33 74.7(2) . 3_757
O84 K3 O61 81.0(2) 3_656 1_556
O54 K3 O61 99.6(2) . 1_556
O33 K3 O61 112.5(3) 3_757 1_556
O84 K3 O21 95.9(2) 3_656 1_556
O54 K3 O21 148.9(2) . 1_556
O33 K3 O21 83.7(2) 3_757 1_556
O61 K3 O21 68.20(18) 1_556 1_556
O84 K3 O6 81.0(2) 3_656 1_556
O54 K3 O6 65.54(18) . 1_556
O33 K3 O6 89.1(2) 3_757 1_556
O61 K3 O6 150.4(2) 1_556 1_556
O21 K3 O6 137.09(19) 1_556 1_556
O84 K3 O20 97.7(2) 3_656 1_556
O54 K3 O20 141.0(2) . 1_556
O33 K3 O20 71.7(2) 3_757 1_556
O61 K3 O20 111.10(18) 1_556 1_556
O21 K3 O20 43.20(17) 1_556 1_556
O6 K3 O20 94.46(18) 1_556 1_556
O84 K3 C21 99.2(3) 3_656 1_556
O54 K3 C21 149.6(3) . 1_556
O33 K3 C21 75.1(2) 3_757 1_556
O61 K3 C21 89.4(2) 1_556 1_556
O21 K3 C21 21.19(19) 1_556 1_556
O6 K3 C21 116.6(2) 1_556 1_556
O20 K3 C21 22.19(19) 1_556 1_556
O84 K3 C61 78.0(2) 3_656 1_556
O54 K3 C61 82.1(2) . 1_556
O33 K3 C61 116.9(3) 3_757 1_556
O61 K3 C61 20.16(19) 1_556 1_556
O21 K3 C61 88.4(2) 1_556 1_556
O6 K3 C61 131.6(2) 1_556 1_556
O20 K3 C61 131.2(2) 1_556 1_556
C21 K3 C61 109.5(2) 1_556 1_556
O84 K3 Gd2 89.31(19) 3_656 1_556
O54 K3 Gd2 127.24(15) . 1_556
O33 K3 Gd2 98.38(18) 3_757 1_556
O61 K3 Gd2 33.94(13) 1_556 1_556
O21 K3 Gd2 34.30(12) 1_556 1_556
O6 K3 Gd2 166.50(14) 1_556 1_556
O20 K3 Gd2 77.42(12) 1_556 1_556
C21 K3 Gd2 55.49(16) 1_556 1_556
C61 K3 Gd2 54.09(15) 1_556 1_556
O84 K3 Gd3 99.18(19) 3_656 .
O54 K3 Gd3 33.14(14) . .
O33 K3 Gd3 77.68(17) 3_757 .
O61 K3 Gd3 129.87(14) 1_556 .
O21 K3 Gd3 158.11(16) 1_556 .
O6 K3 Gd3 32.63(12) 1_556 .
O20 K3 Gd3 118.43(13) 1_556 .
C21 K3 Gd3 138.77(18) 1_556 .
C61 K3 Gd3 110.22(16) 1_556 .
Gd2 K3 Gd3 160.38(6) 1_556 .
O81 K4 O3 76.4(3) . 3_655
O81 K4 O50 107.4(3) . 3_756
O3 K4 O50 167.7(3) 3_655 3_756
O81 K4 O1 153.3(3) . .
O3 K4 O1 77.2(3) 3_655 .
O50 K4 O1 99.2(2) 3_756 .
O81 K4 O52 117.1(2) . .
O3 K4 O52 91.1(3) 3_655 .
O50 K4 O52 76.7(2) 3_756 .
O1 K4 O52 67.41(18) . .
O81 K4 O35 60.5(2) . 1_554
O3 K4 O35 102.6(3) 3_655 1_554
O50 K4 O35 89.3(3) 3_756 1_554
O1 K4 O35 122.3(2) . 1_554
O52 K4 O35 164.5(2) . 1_554
O81 K4 O2 123.4(2) . .
O3 K4 O2 75.7(3) 3_655 .
O50 K4 O2 110.2(2) 3_756 .
O1 K4 O2 44.28(17) . .
O52 K4 O2 111.69(18) . .
O35 K4 O2 79.08(19) 1_554 .
O81 K4 O53 77.7(2) . .
O3 K4 O53 94.1(3) 3_655 .
O50 K4 O53 75.7(2) 3_756 .
O1 K4 O53 108.41(18) . .
O52 K4 O53 41.49(17) . .
O35 K4 O53 128.86(19) 1_554 .
O2 K4 O53 152.01(18) . .
O81 K4 C2 140.5(3) . .
O3 K4 C2 74.0(3) 3_655 .
O50 K4 C2 107.0(2) 3_756 .
O1 K4 C2 21.87(19) . .
O52 K4 C2 89.2(2) . .
O35 K4 C2 101.3(2) 1_554 .
O2 K4 C2 22.49(18) . .
O53 K4 C2 129.8(2) . .
O81 K4 C51 98.7(2) . .
O3 K4 C51 94.5(3) 3_655 .
O50 K4 C51 73.4(2) 3_756 .
O1 K4 C51 87.5(2) . .
O52 K4 C51 20.12(18) . .
O35 K4 C51 148.1(2) 1_554 .
O2 K4 C51 131.73(19) . .
O53 K4 C51 21.53(17) . .
C2 K4 C51 109.2(2) . .
O81 K4 Gd1 145.91(16) . .
O3 K4 Gd1 84.4(2) 3_655 .
O50 K4 Gd1 86.4(2) 3_756 .
O1 K4 Gd1 32.95(13) . .
O52 K4 Gd1 34.53(13) . .
O35 K4 Gd1 152.76(15) 1_554 .
O2 K4 Gd1 77.22(12) . .
O53 K4 Gd1 75.87(12) . .
C2 K4 Gd1 54.81(16) . .
C51 K4 Gd1 54.64(14) . .
O81 K4 Gd4 28.97(15) . .
O3 K4 Gd4 89.3(2) 3_655 .
O50 K4 Gd4 99.5(2) 3_756 .
O1 K4 Gd4 146.95(15) . .
O52 K4 Gd4 143.90(14) . .
O35 K4 Gd4 31.57(13) 1_554 .
O2 K4 Gd4 103.36(13) . .
O53 K4 Gd4 102.49(12) . .
C2 K4 Gd4 125.33(17) . .
C51 K4 Gd4 124.00(15) . .
Gd1 K4 Gd4 173.34(6) . .
C83 O83 Cu8 114.6(6) . .
C83 O82 Gd3 145.3(6) . .
C83 O82 K2 112.3(6) . 2_645
Gd3 O82 K2 101.3(2) . 2_645
C71 O74 Cu6 113.8(6) . .
C71 O74 K1 89.0(5) . 1_554
Cu6 O74 K1 149.3(3) . 1_554
C63 O62 Cu5 113.0(6) . .
C43 O40 Cu4 113.1(6) . .
C60 N6 C62 111.6(7) . .
C60 N6 C64 111.2(7) . .
C62 N6 C64 110.4(7) . .
C60 N6 Cu5 107.4(6) . .
C62 N6 Cu5 109.8(5) . .
C64 N6 Cu5 106.2(5) . .
C80 N8 C84 113.9(8) . .
C80 N8 C82 112.5(8) . .
C84 N8 C82 109.7(8) . .
C80 N8 Cu8 107.0(6) . .
C84 N8 Cu8 108.8(6) . .
C82 N8 Cu8 104.5(5) . .
C41 O42 Cu4 113.0(6) . .
C41 O42 K1 80.4(6) . 2_645
Cu4 O42 K1 153.4(3) . 2_645
C45 O44 Cu4 112.3(6) . .
C31 O31 Gd3 156.9(6) . .
C31 O31 K2 100.5(6) . 2_645
Gd3 O31 K2 99.6(2) . 2_645
C35 O34 Cu7 111.8(6) . .
C21 O20 Cu2 114.8(6) . .
C21 O20 K3 90.4(5) . 1_554
Cu2 O20 K3 150.1(3) . 1_554
C32 N3 C34 109.9(8) . .
C32 N3 C30 112.3(8) . .
C34 N3 C30 114.1(8) . .
C32 N3 Cu7 104.9(5) . .
C34 N3 Cu7 108.7(5) . .
C30 N3 Cu7 106.3(6) . .
C33 O32 Cu7 113.6(6) . .
C23 O22 Cu2 116.0(7) . .
C42 N4 C40 112.1(7) . .
C42 N4 C44 111.6(7) . .
C40 N4 C44 112.2(7) . .
C42 N4 Cu4 105.7(5) . .
C40 N4 Cu4 106.2(5) . .
C44 N4 Cu4 108.7(5) . .
C51 O53 Cu3 114.3(6) . .
C51 O53 K4 89.6(5) . .
Cu3 O53 K4 151.2(3) . .
C25 O25 Cu2 106.0(5) . .
C25 O25 Gd1 94.0(5) . .
Cu2 O25 Gd1 145.6(3) . .
C51 O52 Gd1 153.7(6) . .
C51 O52 K4 105.3(6) . .
Gd1 O52 K4 101.0(2) . .
O31 C31 O30 124.8(9) . .
O31 C31 C30 117.8(9) . .
O30 C31 C30 117.3(8) . .
O31 C31 K2 58.0(5) . 2_645
O30 C31 K2 71.3(5) . 2_645
C30 C31 K2 153.7(8) . 2_645
O21 C21 O20 123.6(9) . .
O21 C21 C20 118.4(8) . .
O20 C21 C20 118.0(8) . .
O21 C21 K3 57.0(5) . 1_554
O20 C21 K3 67.4(5) . 1_554
C20 C21 K3 168.4(6) . 1_554
C2 O1 Gd1 149.7(6) . .
C2 O1 K4 103.2(5) . .
Gd1 O1 K4 107.0(2) . .
C31 O30 Cu7 115.1(6) . .
C31 O30 K2 86.8(6) . 2_645
Cu7 O30 K2 150.0(3) . 2_645
C55 O56 Cu3 106.0(5) . .
C55 O56 Gd3 92.8(5) . .
Cu3 O56 Gd3 147.9(3) . .
N7 C72 C73 113.3(8) . .
N7 C72 H72A 108.9 . .
C73 C72 H72A 108.9 . .
N7 C72 H72B 108.9 . .
C73 C72 H72B 108.9 . .
H72A C72 H72B 107.7 . .
C75 O71 Gd2 94.1(5) . .
C75 O71 K2 147.5(6) . .
Gd2 O71 K2 117.1(2) . .
C55 O54 Gd3 93.8(5) . .
C55 O54 K3 154.1(6) . .
Gd3 O54 K3 112.0(2) . .
C75 O70 Cu6 107.8(5) . .
C75 O70 Gd2 93.0(5) . .
Cu6 O70 Gd2 153.0(3) . .
O71 C75 O70 121.1(8) . .
O71 C75 C74 119.5(8) . .
O70 C75 C74 119.4(8) . .
O71 C75 Gd2 60.4(5) . .
O70 C75 Gd2 60.8(4) . .
C74 C75 Gd2 177.7(7) . .
O52 C51 O53 122.7(9) . .
O52 C51 C50 119.1(8) . .
O53 C51 C50 118.1(8) . .
O52 C51 K4 54.6(5) . .
O53 C51 K4 68.8(5) . .
C50 C51 K4 166.8(6) . .
C53 O51 Cu3 116.7(7) . .
C61 O60 Cu5 113.8(6) . .
N4 C42 C43 109.5(7) . .
N4 C42 H42A 109.8 . .
C43 C42 H42A 109.8 . .
N4 C42 H42B 109.8 . .
C43 C42 H42B 109.8 . .
H42A C42 H42B 108.2 . .
C65 O64 Cu5 113.5(6) . .
C2 O2 Cu1 112.0(6) . .
C2 O2 K4 88.8(5) . .
Cu1 O2 K4 150.8(3) . .
C1 N1 C3 113.1(8) . .
C1 N1 C5 111.5(8) . .
C3 N1 C5 110.5(7) . .
C1 N1 Cu1 106.0(5) . .
C3 N1 Cu1 107.6(6) . .
C5 N1 Cu1 107.8(5) . .
O24 C25 O25 121.0(8) . .
O24 C25 C24 120.1(8) . .
O25 C25 C24 118.8(8) . .
O24 C25 Gd1 61.2(5) . .
O25 C25 Gd1 59.9(4) . .
C24 C25 Gd1 178.5(6) . .
O82 C83 O83 124.6(9) . .
O82 C83 C82 118.5(8) . .
O83 C83 C82 116.9(8) . .
O82 C83 K2 48.4(4) . 2_645
O83 C83 K2 78.2(5) . 2_645
C82 C83 K2 157.7(6) . 2_645
C85 O80 Cu8 108.5(6) . .
C85 O80 Gd4 89.5(5) . .
Cu8 O80 Gd4 157.5(3) . .
O60 C61 O61 125.6(8) . .
O60 C61 C60 117.7(8) . .
O61 C61 C60 116.6(8) . .
O60 C61 K3 79.5(5) . 1_554
O61 C61 K3 48.9(4) . 1_554
C60 C61 K3 153.2(6) . 1_554
C43 O41 K1 135.2(7) . 3_756
N8 C80 C81 113.4(8) . .
N8 C80 H80A 108.9 . .
C81 C80 H80A 108.9 . .
N8 C80 H80B 108.9 . .
C81 C80 H80B 108.9 . .
H80A C80 H80B 107.7 . .
C21 O21 Gd2 155.5(6) . .
C21 O21 K3 101.8(6) . 1_554
Gd2 O21 K3 102.6(2) . 1_554
C25 O24 Gd1 93.5(5) . .
C25 O24 K1 154.4(6) . .
Gd1 O24 K1 112.1(2) . .
O1 C2 O2 123.2(9) . .
O1 C2 C1 118.0(8) . .
O2 C2 C1 118.6(8) . .
O1 C2 K4 54.9(5) . .
O2 C2 K4 68.7(5) . .
C1 C2 K4 168.6(6) . .
O75 C71 O74 124.6(9) . .
O75 C71 C70 117.5(8) . .
O74 C71 C70 117.8(8) . .
O75 C71 K1 57.1(5) . 1_554
O74 C71 K1 68.5(5) . 1_554
C70 C71 K1 165.8(6) . 1_554
O54 C55 O56 122.7(8) . .
O54 C55 C54 119.4(8) . .
O56 C55 C54 117.9(8) . .
O54 C55 Gd3 61.0(5) . .
O56 C55 Gd3 61.7(4) . .
C54 C55 Gd3 179.5(7) . .
O41 C43 O40 124.3(10) . .
O41 C43 C42 119.7(9) . .
O40 C43 C42 115.9(9) . .
C54 N5 C52 111.9(8) . .
C54 N5 C50 110.2(7) . .
C52 N5 C50 114.7(7) . .
C54 N5 Cu3 108.4(5) . .
C52 N5 Cu3 106.6(6) . .
C50 N5 Cu3 104.5(5) . .
O43 C41 O42 123.0(9) . .
O43 C41 C40 118.8(9) . .
O42 C41 C40 118.2(8) . .
O43 C41 K1 48.1(5) . 2_645
O42 C41 K1 78.4(6) . 2_645
C40 C41 K1 154.3(7) . 2_645
C41 O43 Gd4 143.6(6) . .
C41 O43 K1 112.3(6) . 2_645
Gd4 O43 K1 103.8(2) . 2_645
O81 C85 O80 121.5(9) . .
O81 C85 C84 118.3(9) . .
O80 C85 C84 120.0(9) . .
O81 C85 Gd4 57.2(5) . .
O80 C85 Gd4 64.6(5) . .
C84 C85 Gd4 175.2(7) . .
C70 N7 C74 110.0(7) . .
C70 N7 C72 114.2(7) . .
C74 N7 C72 110.7(8) . .
C70 N7 Cu6 105.6(5) . .
C74 N7 Cu6 109.9(6) . .
C72 N7 Cu6 106.3(6) . .
N2 C24 C25 111.8(7) . .
N2 C24 H24A 109.2 . .
C25 C24 H24A 109.2 . .
N2 C24 H24B 109.2 . .
C25 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C73 O73 K1 130.5(7) . 4_665
N7 C74 C75 113.0(8) . .
N7 C74 H74A 109.0 . .
C75 C74 H74A 109.0 . .
N7 C74 H74B 109.0 . .
C75 C74 H74B 109.0 . .
H74A C74 H74B 107.8 . .
C73 O72 Cu6 116.6(7) . .
C61 O61 Gd2 144.1(6) . .
C61 O61 K3 110.9(5) . 1_554
Gd2 O61 K3 104.9(2) . 1_554
O63 C63 O62 123.8(8) . .
O63 C63 C62 118.0(8) . .
O62 C63 C62 117.9(8) . .
O73 C73 O72 125.7(10) . .
O73 C73 C72 118.2(10) . .
O72 C73 C72 116.0(9) . .
C22 N2 C20 115.4(7) . .
C22 N2 C24 111.7(7) . .
C20 N2 C24 109.6(7) . .
C22 N2 Cu2 106.8(5) . .
C20 N2 Cu2 105.2(5) . .
C24 N2 Cu2 107.7(5) . .
C23 O23 K2 125.7(6) . 4_666
N2 C20 C21 110.3(7) . .
N2 C20 H20A 109.6 . .
C21 C20 H20A 109.6 . .
N2 C20 H20B 109.6 . .
C21 C20 H20B 109.6 . .
H20A C20 H20B 108.1 . .
N6 C60 C61 110.5(8) . .
N6 C60 H60A 109.5 . .
C61 C60 H60A 109.5 . .
N6 C60 H60B 109.5 . .
C61 C60 H60B 109.5 . .
H60A C60 H60B 108.1 . .
N5 C50 C51 110.7(7) . .
N5 C50 H50A 109.5 . .
C51 C50 H50A 109.5 . .
N5 C50 H50B 109.5 . .
C51 C50 H50B 109.5 . .
H50A C50 H50B 108.1 . .
N8 C84 C85 115.5(9) . .
N8 C84 H84A 108.4 . .
C85 C84 H84A 108.4 . .
N8 C84 H84B 108.4 . .
C85 C84 H84B 108.4 . .
H84A C84 H84B 107.5 . .
O23 C23 O22 122.9(10) . .
O23 C23 C22 119.4(10) . .
O22 C23 C22 117.5(9) . .
N4 C40 C41 110.8(7) . .
N4 C40 H40E 109.5 . .
C41 C40 H40E 109.5 . .
N4 C40 H40F 109.5 . .
C41 C40 H40F 109.5 . .
H40E C40 H40F 108.1 . .
C85 O81 Gd4 97.5(6) . .
C85 O81 K4 140.2(7) . .
Gd4 O81 K4 119.9(3) . .
C81 O84 K3 132.6(7) . 3_656
N1 C1 C2 108.7(7) . .
N1 C1 H1A 110.0 . .
C2 C1 H1A 110.0 . .
N1 C1 H1B 110.0 . .
C2 C1 H1B 110.0 . .
H1A C1 H1B 108.3 . .
N2 C22 C23 111.7(8) . .
N2 C22 H22A 109.3 . .
C23 C22 H22A 109.3 . .
N2 C22 H22B 109.3 . .
C23 C22 H22B 109.3 . .
H22A C22 H22B 107.9 . .
O34 C35 O35 124.3(10) . .
O34 C35 C34 119.3(8) . .
O35 C35 C34 116.3(9) . .
N3 C32 C33 110.9(8) . .
N3 C32 H32A 109.5 . .
C33 C32 H32A 109.5 . .
N3 C32 H32B 109.5 . .
C33 C32 H32B 109.5 . .
H32A C32 H32B 108.0 . .
N6 C64 C65 109.9(8) . .
N6 C64 H64A 109.7 . .
C65 C64 H64A 109.7 . .
N6 C64 H64B 109.7 . .
C65 C64 H64B 109.7 . .
H64A C64 H64B 108.2 . .
O84 C81 O85 122.7(10) . .
O84 C81 C80 119.9(10) . .
O85 C81 C80 117.4(10) . .
C4 O4 Cu1 113.7(7) . .
O33 C33 O32 126.6(10) . .
O33 C33 C32 119.1(9) . .
O32 C33 C32 114.2(9) . .
N7 C70 C71 108.8(7) . .
N7 C70 H70A 109.9 . .
C71 C70 H70A 109.9 . .
N7 C70 H70B 109.9 . .
C71 C70 H70B 109.9 . .
H70A C70 H70B 108.3 . .
O50 C53 O51 125.0(11) . .
O50 C53 C52 117.9(12) . .
O51 C53 C52 117.0(10) . .
N8 C82 C83 110.3(7) . .
N8 C82 H82A 109.6 . .
C83 C82 H82A 109.6 . .
N8 C82 H82B 109.6 . .
C83 C82 H82B 109.6 . .
H82A C82 H82B 108.1 . .
N5 C52 C53 112.1(9) . .
N5 C52 H52A 109.2 . .
C53 C52 H52A 109.2 . .
N5 C52 H52B 109.2 . .
C53 C52 H52B 109.2 . .
H52A C52 H52B 107.9 . .
N5 C54 C55 111.4(7) . .
N5 C54 H54A 109.4 . .
C55 C54 H54A 109.4 . .
N5 C54 H54B 109.4 . .
C55 C54 H54B 109.4 . .
H54A C54 H54B 108.0 . .
N4 C44 C45 111.3(7) . .
N4 C44 K2 162.2(6) . 2_645
C45 C44 K2 85.7(5) . 2_645
N4 C44 H44A 109.4 . .
C45 C44 H44A 109.4 . .
K2 C44 H44A 57.6 2_645 .
N4 C44 H44B 109.4 . .
C45 C44 H44B 109.4 . .
K2 C44 H44B 67.8 2_645 .
H44A C44 H44B 108.0 . .
C33 O33 K3 133.6(7) . 3_757
C53 O50 K4 132.6(7) . 3_756
N6 C62 C63 111.2(7) . .
N6 C62 K1 159.1(6) . 1_554
C63 C62 K1 84.0(5) . 1_554
N6 C62 H62A 109.4 . .
C63 C62 H62A 109.4 . .
K1 C62 H62A 50.3 1_554 .
N6 C62 H62B 109.4 . .
C63 C62 H62B 109.4 . .
K1 C62 H62B 77.0 1_554 .
H62A C62 H62B 108.0 . .
O3 C4 O4 121.2(13) . .
O3 C4 C3 119.1(12) . .
O4 C4 C3 119.3(10) . .
C81 O85 Cu8 114.9(7) . .
N1 C3 C4 112.4(9) . .
N1 C3 H3A 109.1 . .
C4 C3 H3A 109.1 . .
N1 C3 H3B 109.1 . .
C4 C3 H3B 109.1 . .
H3A C3 H3B 107.9 . .
N3 C30 C31 111.8(8) . .
N3 C30 H30E 109.3 . .
C31 C30 H30E 109.3 . .
N3 C30 H30F 109.3 . .
C31 C30 H30F 109.3 . .
H30E C30 H30F 107.9 . .
N3 C34 C35 112.2(8) . .
N3 C34 H34A 109.2 . .
C35 C34 H34A 109.2 . .
N3 C34 H34B 109.2 . .
C35 C34 H34B 109.2 . .
H34A C34 H34B 107.9 . .
C4 O3 K4 134.0(8) . 3_655
C6 O5 Cu1 112.6(6) . .
C65 O65 K2 135.5(7) . 4_565
O45 C45 O44 125.5(9) . .
O45 C45 C44 115.7(8) . .
O44 C45 C44 118.7(8) . .
O65 C65 O64 125.1(10) . .
O65 C65 C64 119.7(9) . .
O64 C65 C64 115.2(9) . .
N1 C5 C6 113.0(8) . .
N1 C5 H5A 109.0 . .
C6 C5 H5A 109.0 . .
N1 C5 H5B 109.0 . .
C6 C5 H5B 109.0 . .
H5A C5 H5B 107.8 . .
C6 O6 Gd3 135.4(6) . 1_554
C6 O6 K3 117.1(5) . 1_554
Gd3 O6 K3 105.6(2) 1_554 1_554
O5 C6 O6 127.3(9) . .
O5 C6 C5 116.1(8) . .
O6 C6 C5 116.5(8) . .
C35 O35 Gd4 131.1(6) . 1_556
C35 O35 K4 119.1(6) . 1_556
Gd4 O35 K4 108.4(2) 1_556 1_556
C45 O45 Gd2 131.3(6) . 2_645
C45 O45 K2 116.4(5) . 2_645
Gd2 O45 K2 110.0(2) 2_645 2_645
C71 O75 Gd4 157.3(6) . 2_654
C71 O75 K1 101.1(6) . 1_554
Gd4 O75 K1 101.6(2) 2_654 1_554
C63 O63 Gd1 136.3(6) . 1_554
C63 O63 K1 115.0(5) . 1_554
Gd1 O63 K1 106.8(2) 1_554 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.332(6) .
Gd1 O52 2.368(6) .
Gd1 O63 2.404(6) 1_556
Gd1 O203 2.438(7) .
Gd1 O209 2.477(7) .
Gd1 O25 2.497(6) .
Gd1 O200 2.498(7) .
Gd1 O202 2.504(8) .
Gd1 O24 2.527(7) .
Gd1 C25 2.878(9) .
Gd1 K4 4.100(2) .
Gd1 K1 4.259(2) .
Gd2 O21 2.360(6) .
Gd2 O61 2.360(6) .
Gd2 O45 2.406(6) 2_655
Gd2 O102 2.443(7) .
Gd2 O100 2.468(7) .
Gd2 O104 2.515(7) .
Gd2 O103 2.521(7) .
Gd2 O71 2.522(6) .
Gd2 O70 2.528(6) .
Gd2 C75 2.891(9) .
Gd2 K3 4.086(2) 1_554
Gd2 K2 4.389(3) .
Gd3 O31 2.367(7) .
Gd3 O82 2.399(6) .
Gd3 O6 2.409(6) 1_556
Gd3 O300 2.432(7) .
Gd3 O302 2.448(8) .
Gd3 O304 2.482(7) .
Gd3 O303 2.482(7) .
Gd3 O54 2.536(6) .
Gd3 O56 2.552(6) .
Gd3 C55 2.894(8) .
Gd3 K2 4.024(2) 2_645
Gd3 K3 4.303(2) .
Gd4 O43 2.371(6) .
Gd4 O75 2.382(6) 2_644
Gd4 O35 2.412(7) 1_554
Gd4 O81 2.443(7) .
Gd4 O403 2.451(7) .
Gd4 O405 2.478(7) .
Gd4 O400 2.486(7) .
Gd4 O404 2.550(8) .
Gd4 O80 2.603(6) .
Gd4 C85 2.881(10) .
Gd4 K1 4.038(2) 2_645
Gd4 K4 4.372(2) .
Cu5 N6 1.991(7) .
Cu5 O60 2.017(6) .
Cu5 O64 2.070(7) .
Cu5 O62 2.077(6) .
Cu5 Cl6 2.224(3) .
Cu6 O72 1.930(8) .
Cu6 O74 1.976(7) .
Cu6 N7 2.033(8) .
Cu6 Cl7 2.231(3) .
Cu6 O70 2.286(6) .
Cu7 O30 1.983(6) .
Cu7 N3 2.028(7) .
Cu7 O34 2.069(6) .
Cu7 O32 2.072(7) .
Cu7 Cl3 2.246(3) .
Cu3 O51 1.924(8) .
Cu3 O53 1.948(7) .
Cu3 N5 2.042(7) .
Cu3 Cl5 2.253(3) .
Cu3 O56 2.332(6) .
Cu2 O22 1.940(7) .
Cu2 O20 1.963(7) .
Cu2 N2 2.054(7) .
Cu2 Cl2 2.244(3) .
Cu2 O25 2.280(6) .
Cu8 O85 1.947(7) .
Cu8 O83 1.972(7) .
Cu8 N8 2.036(7) .
Cu8 Cl8 2.238(3) .
Cu8 O80 2.250(6) .
Cu1 O4 1.940(8) .
Cu1 O2 1.986(7) .
Cu1 N1 2.014(8) .
Cu1 O5 2.220(6) .
Cu1 Cl1 2.236(3) .
Cu4 N4 2.012(7) .
Cu4 O42 2.018(6) .
Cu4 O44 2.052(6) .
Cu4 O40 2.056(7) .
Cu4 Cl4 2.229(3) .
K1 O24 2.608(7) .
K1 O41 2.725(8) 3_756
K1 O43 2.751(7) 2_655
K1 O73 2.754(8) 4_566
K1 O75 2.816(7) 1_556
K1 O63 2.890(6) 1_556
K1 O74 3.063(7) 1_556
K1 C71 3.292(10) 1_556
K1 O42 3.399(7) 2_655
K1 C41 3.421(10) 2_655
K1 C62 3.434(9) 1_556
K1 Gd4 4.038(2) 2_655
K2 O71 2.622(6) .
K2 O65 2.705(8) 4_666
K2 O23 2.770(8) 4_565
K2 O82 2.796(6) 2_655
K2 O31 2.884(7) 2_655
K2 O45 2.941(7) 2_655
K2 O30 3.172(7) 2_655
K2 C31 3.344(10) 2_655
K2 C44 3.456(9) 2_655
K2 C83 3.462(9) 2_655
K2 Gd3 4.024(2) 2_655
K3 O84 2.645(8) 3_656
K3 O54 2.655(7) .
K3 O33 2.661(8) 3_757
K3 O61 2.785(7) 1_556
K3 O21 2.859(7) 1_556
K3 O6 2.975(6) 1_556
K3 O20 3.081(7) 1_556
K3 C21 3.337(10) 1_556
K3 C61 3.451(9) 1_556
K3 Gd2 4.086(2) 1_556
K4 O81 2.607(7) .
K4 O3 2.718(11) 3_655
K4 O50 2.721(9) 3_756
K4 O1 2.758(7) .
K4 O52 2.925(7) .
K4 O35 2.965(7) 1_554
K4 O2 3.057(6) .
K4 O53 3.228(7) .
K4 C2 3.281(10) .
K4 C51 3.461(10) .
O83 C83 1.259(10) .
O82 C83 1.241(11) .
O82 K2 2.796(6) 2_645
O74 C71 1.264(10) .
O74 K1 3.063(7) 1_554
O62 C63 1.277(10) .
O40 C43 1.275(11) .
N6 C60 1.466(11) .
N6 C62 1.476(10) .
N6 C64 1.482(12) .
N8 C80 1.444(12) .
N8 C84 1.464(12) .
N8 C82 1.488(11) .
O42 C41 1.255(11) .
O42 K1 3.399(7) 2_645
O44 C45 1.263(11) .
O31 C31 1.245(10) .
O31 K2 2.884(7) 2_645
O34 C35 1.246(11) .
O20 C21 1.260(10) .
O20 K3 3.081(7) 1_554
N3 C32 1.447(12) .
N3 C34 1.470(11) .
N3 C30 1.480(12) .
O32 C33 1.272(11) .
O22 C23 1.269(12) .
N4 C42 1.473(11) .
N4 C40 1.476(11) .
N4 C44 1.483(10) .
O53 C51 1.270(10) .
O25 C25 1.269(10) .
O52 C51 1.234(10) .
C31 O30 1.250(11) .
C31 C30 1.507(13) .
C31 K2 3.344(10) 2_645
C21 O21 1.232(11) .
C21 C20 1.509(13) .
C21 K3 3.337(10) 1_554
O1 C2 1.256(11) .
O30 K2 3.172(7) 2_645
O56 C55 1.248(10) .
C72 N7 1.489(12) .
C72 C73 1.518(14) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
O71 C75 1.248(10) .
O54 C55 1.234(10) .
O70 C75 1.279(10) .
C75 C74 1.515(12) .
C51 C50 1.490(13) .
O51 C53 1.257(14) .
O60 C61 1.238(11) .
C42 C43 1.508(13) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
O64 C65 1.266(11) .
O2 C2 1.255(10) .
N1 C1 1.457(11) .
N1 C3 1.473(13) .
N1 C5 1.487(11) .
C25 O24 1.232(10) .
C25 C24 1.520(12) .
C83 C82 1.530(13) .
C83 K2 3.462(9) 2_645
O80 C85 1.257(11) .
C61 O61 1.273(10) .
C61 C60 1.513(12) .
C61 K3 3.451(9) 1_554
O41 C43 1.230(11) .
O41 K1 2.725(8) 3_756
C80 C81 1.470(14) .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
O21 K3 2.859(7) 1_554
C2 C1 1.526(13) .
C71 O75 1.249(11) .
C71 C70 1.514(12) .
C71 K1 3.292(10) 1_554
C55 C54 1.534(12) .
N5 C54 1.472(12) .
N5 C52 1.481(12) .
N5 C50 1.489(11) .
C41 O43 1.242(11) .
C41 C40 1.509(12) .
C41 K1 3.421(10) 2_645
O43 K1 2.751(7) 2_645
C85 O81 1.243(11) .
C85 C84 1.495(13) .
N7 C70 1.472(10) .
N7 C74 1.473(11) .
C24 N2 1.489(11) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
O73 C73 1.232(13) .
O73 K1 2.754(8) 4_665
C74 H74A 0.9700 .
C74 H74B 0.9700 .
O72 C73 1.281(13) .
O61 K3 2.785(7) 1_554
C63 O63 1.248(10) .
C63 C62 1.493(12) .
N2 C22 1.470(12) .
N2 C20 1.484(10) .
O23 C23 1.236(12) .
O23 K2 2.770(8) 4_666
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C84 H84A 0.9700 .
C84 H84B 0.9700 .
C23 C22 1.505(13) .
C40 H40E 0.9700 .
C40 H40F 0.9700 .
O84 C81 1.236(12) .
O84 K3 2.645(8) 3_656
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C35 O35 1.251(11) .
C35 C34 1.520(14) .
C32 C33 1.521(14) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C64 C65 1.519(14) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C81 O85 1.283(12) .
O4 C4 1.269(14) .
C33 O33 1.218(12) .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
C53 O50 1.231(13) .
C53 C52 1.529(14) .
C82 H82A 0.9700 .
C82 H82B 0.9700 .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C44 C45 1.517(12) .
C44 K2 3.456(9) 2_645
C44 H44A 0.9700 .
C44 H44B 0.9700 .
O33 K3 2.661(8) 3_757
O50 K4 2.721(9) 3_756
C62 K1 3.434(9) 1_554
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C4 O3 1.247(14) .
C4 C3 1.506(16) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C30 H30E 0.9700 .
C30 H30F 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
O3 K4 2.718(11) 3_655
O5 C6 1.239(11) .
O65 C65 1.239(11) .
O65 K2 2.705(8) 4_565
C45 O45 1.246(10) .
C5 C6 1.522(12) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
O6 C6 1.252(11) .
O6 Gd3 2.409(6) 1_554
O6 K3 2.975(6) 1_554
O35 Gd4 2.412(7) 1_556
O35 K4 2.965(7) 1_556
O45 Gd2 2.406(6) 2_645
O45 K2 2.941(7) 2_645
O75 Gd4 2.382(6) 2_654
O75 K1 2.816(7) 1_554
O63 Gd1 2.404(6) 1_554
O63 K1 2.890(6) 1_554
