#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:46:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180195 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/91/7109125.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_7109125
loop_
_publ_author_name
'Xiao-Li Hu'
'Chun-Yi Sun'
'Chao Qin'
'Xin-Long Wang'
'Hai-Ning Wang'
'En-Long Zhou'
'Wen-E Li'
'Zhong-Min Su'
_publ_section_title
;
 Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks
 as photocatalysts for hydrogen generation
;
_journal_name_full               Chem.Commun.
_journal_page_first              3564
_journal_paper_doi               10.1039/c3cc39173f
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C42 H36 Cu5 I8 N6 O34 Gd2'
_chemical_formula_sum            'C42 H36 Cu5 Gd2 I8 N6 O34'
_chemical_formula_weight         2816.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.811(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.390(2)
_cell_length_b                   13.575(3)
_cell_length_c                   22.512(5)
_cell_measurement_reflns_used    17773
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.70
_cell_volume                     3660.6(13)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω 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  0.0601
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17773
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    6.669
_exptl_absorpt_correction_T_max  0.2975
_exptl_absorpt_correction_T_min  0.2864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2598
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.228
_refine_diff_density_min         -1.494
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6422
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0513
_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)+(0.0669P)²+7.6163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1347
_reflns_number_gt                4882
_reflns_number_total             6422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc39173f.txt
_cod_data_source_block           www3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7109125
#BEGIN Tags that were not found in dictionaries:
_diffrn_reflns_av_uniti/neti     0.0719
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.25688(3) 0.49062(3) 0.487000(17) 0.01268(14) Uani 1 1 d . . .
Cu1 Cu 0.01292(8) 0.39812(7) 0.52802(5) 0.0168(2) Uani 1 1 d . . .
Cu2A Cu 0.6131(5) 0.3167(3) 0.2440(2) 0.0312(11) Uani 0.50 1 d PU . 1
Cu2B Cu 0.6223(5) 0.2848(3) 0.2569(2) 0.0284(10) Uani 0.50 1 d PU . 2
Cu3A Cu 0.5069(3) 0.0003(3) 0.51284(15) 0.0133(8) Uani 0.40 1 d PU . 1
Cu3B Cu 0.4787(9) -0.0016(8) 0.4622(6) 0.013(3) Uani 0.10 1 d PU . 2
I1A I 0.0723(4) 0.5574(5) 0.1713(3) 0.0764(10) Uani 0.50 1 d P A 1
I2A I 0.3457(4) 0.5959(3) 0.1760(2) 0.0794(12) Uani 0.40 1 d P B 1
I3A I 0.5878(3) 0.56712(18) 0.17196(15) 0.0656(7) Uani 0.50 1 d P B 1
I4A I 0.8168(4) 0.5680(6) 0.1748(4) 0.0911(14) Uani 0.50 1 d P B 1
I1B I 0.1051(5) 0.5477(7) 0.1684(4) 0.1037(18) Uani 0.50 1 d P C 2
I2B I 0.3347(2) 0.54761(19) 0.17298(12) 0.0720(6) Uani 0.60 1 d P C 2
I3B I 0.5796(2) 0.5151(2) 0.16988(16) 0.0739(8) Uani 0.50 1 d P . 2
I4B I 0.8513(4) 0.5507(5) 0.1738(3) 0.0742(10) Uani 0.50 1 d P D 2
C1 C 0.3897(8) 0.2828(8) 0.2266(5) 0.038(3) Uani 1 1 d . . .
C2 C 0.2793(10) 0.2883(10) 0.2277(6) 0.060(3) Uani 1 1 d U . .
H2A H 0.2227 0.2633 0.1957 0.072 Uiso 1 1 calc R . .
C3 C 0.2564(10) 0.3325(9) 0.2783(5) 0.057(3) Uani 1 1 d U . .
H3A H 0.1826 0.3378 0.2803 0.068 Uiso 1 1 calc R . .
C4 C 0.3395(7) 0.3688(7) 0.3255(4) 0.030(2) Uani 1 1 d . . .
C5 C 0.4490(8) 0.3627(7) 0.3192(4) 0.031(2) Uani 1 1 d . . .
H5A H 0.5065 0.3899 0.3497 0.037 Uiso 1 1 calc R . .
C6 C 0.4268(8) 0.2352(8) 0.1746(5) 0.042(3) Uani 1 1 d . . .
C7 C 0.3107(7) 0.4129(6) 0.3802(4) 0.0232(19) Uani 1 1 d . . .
C8 C 0.1546(8) 0.8213(7) 0.2356(4) 0.035(2) Uani 1 1 d . . .
C9 C 0.0495(9) 0.8136(8) 0.2413(5) 0.047(3) Uani 1 1 d U . .
H9A H -0.0104 0.8406 0.2123 0.056 Uiso 1 1 calc R . .
C10 C 0.0340(9) 0.7635(8) 0.2928(5) 0.049(3) Uani 1 1 d U . .
H10A H -0.0369 0.7598 0.2995 0.058 Uiso 1 1 calc R . .
C11 C 0.1230(7) 0.7197(6) 0.3334(4) 0.0238(19) Uani 1 1 d . . .
C12 C 0.2263(8) 0.7294(7) 0.3217(4) 0.033(2) Uani 1 1 d . . .
H12A H 0.2872 0.6994 0.3484 0.039 Uiso 1 1 calc R . .
C13 C 0.1858(8) 0.8719(7) 0.1829(4) 0.035(2) Uani 1 1 d U . .
C14 C 0.1122(7) 0.6599(6) 0.3869(4) 0.0212(19) Uani 1 1 d . . .
C15 C 0.2814(8) -0.0344(6) 0.4996(5) 0.034(2) Uani 1 1 d . . .
C16 C 0.1743(9) -0.0221(7) 0.4997(6) 0.045(3) Uani 1 1 d U . .
H16A H 0.1276 -0.0760 0.4987 0.054 Uiso 1 1 calc R . .
C17 C 0.1347(8) 0.0737(7) 0.5014(5) 0.038(2) Uani 1 1 d U . .
H17A H 0.0613 0.0841 0.5029 0.046 Uiso 1 1 calc R . .
C18 C 0.2027(7) 0.1514(6) 0.5008(4) 0.026(2) Uani 1 1 d . . .
C19 C 0.3120(8) 0.1326(6) 0.5007(5) 0.036(2) Uani 1 1 d . . .
H19A H 0.3602 0.1853 0.5014 0.043 Uiso 1 1 calc R . .
C20 C 0.1653(7) 0.2562(6) 0.5016(4) 0.0209(19) Uani 1 1 d . . .
C21 C 0.3357(8) -0.1326(7) 0.4978(6) 0.048(3) Uani 1 1 d . . .
N1 N 0.4737(6) 0.3196(6) 0.2715(3) 0.0325(19) Uani 1 1 d . . .
N2 N 0.2429(6) 0.7795(6) 0.2742(3) 0.0306(18) Uani 1 1 d . . .
N3 N 0.3503(7) 0.0419(5) 0.4997(4) 0.0355(19) Uani 1 1 d U . .
O1 O 0.5294(6) 0.2360(5) 0.1787(3) 0.0446(18) Uani 1 1 d U . .
O2 O 0.3546(6) 0.1977(6) 0.1321(3) 0.052(2) Uani 1 1 d U . .
O3 O 0.3872(5) 0.4473(5) 0.4236(3) 0.0311(15) Uani 1 1 d . . .
O4 O 0.2107(5) 0.4166(5) 0.3812(3) 0.0301(15) Uani 1 1 d . . .
O5 O 0.1117(7) 0.9161(7) 0.1441(4) 0.066(2) Uani 1 1 d U . .
O6 O 0.2848(6) 0.8678(5) 0.1801(3) 0.0418(17) Uani 1 1 d U . .
O7 O 0.1961(5) 0.6153(4) 0.4149(3) 0.0251(14) Uani 1 1 d . . .
O8 O 0.0173(5) 0.6624(4) 0.3997(3) 0.0317(15) Uani 1 1 d . . .
O9 O 0.2823(6) -0.2093(5) 0.4964(4) 0.0492(19) Uani 1 1 d U . .
O10 O 0.4384(6) -0.1315(5) 0.4975(4) 0.052(2) Uani 1 1 d U . .
O11 O 0.0682(5) 0.2703(4) 0.5087(3) 0.0314(15) Uani 1 1 d . . .
O12 O 0.2325(5) 0.3209(4) 0.4950(3) 0.0247(14) Uani 1 1 d . . .
O13 O 0.0563(4) 0.4731(4) 0.4624(2) 0.0153(12) Uani 1 1 d . . .
H9 H 0.0333 0.4438 0.4208 0.023 Uiso 1 1 d R . .
O1W O 0.3991(5) 0.6194(4) 0.5099(4) 0.0394(17) Uani 1 1 d . . .
H1 H 0.3998 0.6558 0.4718 0.059 Uiso 1 1 d R . .
H2 H 0.3814 0.6656 0.5402 0.059 Uiso 1 1 d R . .
O2W O 0.4250(5) 0.4300(5) 0.5591(3) 0.0422(18) Uani 1 1 d . . .
H3 H 0.4893 0.4720 0.5567 0.063 Uiso 1 1 d R . .
H4 H 0.4150 0.4321 0.6014 0.063 Uiso 1 1 d R . .
O3W O 0.2038(5) 0.4473(4) 0.5850(3) 0.0289(14) Uani 1 1 d . . .
H5 H 0.2054 0.5041 0.6129 0.043 Uiso 1 1 d R . .
H6 H 0.2482 0.3924 0.6081 0.043 Uiso 1 1 d R . .
O4W O 0.1803(5) 0.6366(4) 0.5344(3) 0.0324(16) Uani 1 1 d . . .
H7 H 0.2097 0.7015 0.5257 0.049 Uiso 1 1 d R . .
H8 H 0.1888 0.6298 0.5792 0.049 Uiso 1 1 d R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O7 Gd1 O12 138.1(2) . .
O7 Gd1 O13 77.40(18) . .
O12 Gd1 O13 76.99(18) . .
O7 Gd1 O2W 141.1(2) . .
O12 Gd1 O2W 73.8(2) . .
O13 Gd1 O2W 140.77(19) . .
O7 Gd1 O1W 73.4(2) . .
O12 Gd1 O1W 142.2(2) . .
O13 Gd1 O1W 139.75(18) . .
O2W Gd1 O1W 69.7(2) . .
O7 Gd1 O3 85.0(2) . .
O12 Gd1 O3 85.8(2) . .
O13 Gd1 O3 128.83(18) . .
O2W Gd1 O3 74.4(2) . .
O1W Gd1 O3 75.6(2) . .
O7 Gd1 O4 71.1(2) . .
O12 Gd1 O4 71.1(2) . .
O13 Gd1 O4 76.83(18) . .
O2W Gd1 O4 116.4(2) . .
O1W Gd1 O4 117.6(2) . .
O3 Gd1 O4 52.00(19) . .
O7 Gd1 O3W 131.80(19) . .
O12 Gd1 O3W 68.60(19) . .
O13 Gd1 O3W 72.25(19) . .
O2W Gd1 O3W 73.1(2) . .
O1W Gd1 O3W 108.5(2) . .
O3 Gd1 O3W 143.0(2) . .
O4 Gd1 O3W 133.4(2) . .
O7 Gd1 O4W 68.8(2) . .
O12 Gd1 O4W 131.71(18) . .
O13 Gd1 O4W 72.57(19) . .
O2W Gd1 O4W 109.3(2) . .
O1W Gd1 O4W 71.4(2) . .
O3 Gd1 O4W 142.3(2) . .
O4 Gd1 O4W 133.6(2) . .
O3W Gd1 O4W 66.89(18) . .
O7 Gd1 C7 77.6(2) . .
O12 Gd1 C7 76.3(2) . .
O13 Gd1 C7 102.6(2) . .
O2W Gd1 C7 95.3(2) . .
O1W Gd1 C7 97.5(2) . .
O3 Gd1 C7 26.2(2) . .
O4 Gd1 C7 25.8(2) . .
O3W Gd1 C7 144.8(2) . .
O4W Gd1 C7 146.4(2) . .
O8 Cu1 O11 88.0(3) 3_566 .
O8 Cu1 O13 172.0(3) 3_566 .
O11 Cu1 O13 96.5(2) . .
O8 Cu1 O13 95.8(2) 3_566 3_566
O11 Cu1 O13 172.9(3) . 3_566
O13 Cu1 O13 80.5(2) . 3_566
O8 Cu1 Cu1 135.54(19) 3_566 3_566
O11 Cu1 Cu1 136.46(18) . 3_566
O13 Cu1 Cu1 40.31(14) . 3_566
O13 Cu1 Cu1 40.19(14) 3_566 3_566
O1 Cu2A O6 165.6(4) . 2_645
O1 Cu2A N1 84.6(4) . .
O6 Cu2A N1 98.1(4) 2_645 .
O1 Cu2A N2 92.0(4) . 2_645
O6 Cu2A N2 81.8(3) 2_645 2_645
N1 Cu2A N2 165.4(4) . 2_645
O6 Cu2B O1 162.9(4) 2_645 .
O6 Cu2B N2 83.3(3) 2_645 2_645
O1 Cu2B N2 91.4(4) . 2_645
O6 Cu2B N1 98.1(4) 2_645 .
O1 Cu2B N1 82.7(3) . .
N2 Cu2B N1 164.3(4) 2_645 .
Cu3A Cu3A O10 84.9(8) 3_656 3_656
Cu3A Cu3A N3 84.0(8) 3_656 3_656
O10 Cu3A N3 83.9(3) 3_656 3_656
Cu3A Cu3A N3 79.6(8) 3_656 .
O10 Cu3A N3 94.6(3) 3_656 .
N3 Cu3A N3 163.6(2) 3_656 .
Cu3A Cu3A O10 78.6(8) 3_656 .
O10 Cu3A O10 163.6(2) 3_656 .
N3 Cu3A O10 94.3(3) 3_656 .
N3 Cu3A O10 82.6(3) . .
Cu3B Cu3B O10 70.5(8) 3_656 .
Cu3B Cu3B N3 69.3(8) 3_656 .
O10 Cu3B N3 78.3(5) . .
Cu3B Cu3B N3 64.6(7) 3_656 3_656
O10 Cu3B N3 86.5(5) . 3_656
N3 Cu3B N3 133.9(7) . 3_656
Cu3B Cu3B O10 63.4(7) 3_656 3_656
O10 Cu3B O10 133.9(7) . 3_656
N3 Cu3B O10 85.5(5) . 3_656
N3 Cu3B O10 74.4(5) 3_656 3_656
Cu3B Cu3B I3B 172.8(10) 3_656 2_645
O10 Cu3B I3B 116.5(5) . 2_645
N3 Cu3B I3B 112.5(5) . 2_645
N3 Cu3B I3B 113.2(5) 3_656 2_645
O10 Cu3B I3B 109.5(5) 3_656 2_645
I4A I3A I2A 171.9(2) . .
I1B I2B I3B 171.2(2) . .
Cu3B I3B I2B 92.6(2) 2_655 .
N1 C1 C2 123.2(9) . .
N1 C1 C6 114.2(8) . .
C2 C1 C6 122.6(9) . .
C1 C2 C3 116.9(11) . .
C1 C2 H2A 121.5 . .
C3 C2 H2A 121.5 . .
C4 C3 C2 121.6(11) . .
C4 C3 H3A 119.2 . .
C2 C3 H3A 119.2 . .
C3 C4 C5 117.2(8) . .
C3 C4 C7 119.5(8) . .
C5 C4 C7 123.3(8) . .
N1 C5 C4 122.5(9) . .
N1 C5 H5A 118.7 . .
C4 C5 H5A 118.7 . .
O2 C6 O1 125.5(9) . .
O2 C6 C1 118.1(8) . .
O1 C6 C1 116.4(8) . .
O4 C7 O3 121.6(7) . .
O4 C7 C4 118.7(8) . .
O3 C7 C4 119.7(7) . .
O4 C7 Gd1 61.5(4) . .
O3 C7 Gd1 60.2(4) . .
C4 C7 Gd1 178.0(6) . .
N2 C8 C9 123.8(8) . .
N2 C8 C13 112.0(8) . .
C9 C8 C13 124.1(9) . .
C8 C9 C10 117.3(10) . .
C8 C9 H9A 121.4 . .
C10 C9 H9A 121.4 . .
C11 C10 C9 120.3(10) . .
C11 C10 H10A 119.9 . .
C9 C10 H10A 119.9 . .
C10 C11 C12 117.3(8) . .
C10 C11 C14 123.5(8) . .
C12 C11 C14 119.1(8) . .
N2 C12 C11 123.1(8) . .
N2 C12 H12A 118.4 . .
C11 C12 H12A 118.4 . .
O5 C13 O6 122.9(8) . .
O5 C13 C8 118.7(8) . .
O6 C13 C8 118.3(8) . .
O7 C14 O8 127.0(7) . .
O7 C14 C11 116.5(7) . .
O8 C14 C11 116.5(8) . .
C16 C15 N3 122.3(8) . .
C16 C15 C21 124.3(8) . .
N3 C15 C21 113.4(8) . .
C15 C16 C17 118.2(9) . .
C15 C16 H16A 120.9 . .
C17 C16 H16A 120.9 . .
C18 C17 C16 120.2(9) . .
C18 C17 H17A 119.9 . .
C16 C17 H17A 119.9 . .
C17 C18 C19 118.0(8) . .
C17 C18 C20 123.0(8) . .
C19 C18 C20 118.9(8) . .
N3 C19 C18 122.0(8) . .
N3 C19 H19A 119.0 . .
C18 C19 H19A 119.0 . .
O12 C20 O11 126.4(7) . .
O12 C20 C18 116.7(7) . .
O11 C20 C18 116.8(7) . .
O9 C21 O10 122.7(9) . .
O9 C21 C15 120.8(8) . .
O10 C21 C15 116.5(8) . .
C5 N1 C1 118.5(8) . .
C5 N1 Cu2A 131.5(7) . .
C1 N1 Cu2A 109.1(6) . .
C5 N1 Cu2B 130.4(7) . .
C1 N1 Cu2B 110.8(6) . .
Cu2A N1 Cu2B 14.91(18) . .
C12 N2 C8 118.1(8) . .
C12 N2 Cu2B 128.7(7) . 2_655
C8 N2 Cu2B 112.3(6) . 2_655
C12 N2 Cu2A 128.8(7) . 2_655
C8 N2 Cu2A 112.6(6) . 2_655
Cu2B N2 Cu2A 14.99(18) 2_655 2_655
C19 N3 C15 119.2(8) . .
C19 N3 Cu3A 128.3(6) . 3_656
C15 N3 Cu3A 112.0(6) . 3_656
C19 N3 Cu3A 127.5(7) . .
C15 N3 Cu3A 112.4(6) . .
Cu3A N3 Cu3A 16.4(2) 3_656 .
C19 N3 Cu3B 126.1(7) . .
C15 N3 Cu3B 109.5(7) . .
Cu3A N3 Cu3B 15.2(3) 3_656 .
Cu3A N3 Cu3B 31.6(4) . .
C19 N3 Cu3B 123.6(7) . 3_656
C15 N3 Cu3B 111.5(7) . 3_656
Cu3A N3 Cu3B 30.9(4) 3_656 3_656
Cu3A N3 Cu3B 14.5(3) . 3_656
Cu3B N3 Cu3B 46.1(7) . 3_656
C6 O1 Cu2A 113.8(6) . .
C6 O1 Cu2B 115.1(6) . .
Cu2A O1 Cu2B 15.33(18) . .
C7 O3 Gd1 93.6(4) . .
C7 O4 Gd1 92.7(5) . .
C13 O6 Cu2B 113.3(6) . 2_655
C13 O6 Cu2A 113.2(6) . 2_655
Cu2B O6 Cu2A 15.17(18) 2_655 2_655
C14 O7 Gd1 142.7(5) . .
C14 O8 Cu1 124.2(5) . 3_566
C21 O10 Cu3A 113.0(6) . 3_656
C21 O10 Cu3A 113.3(6) . .
Cu3A O10 Cu3A 16.4(2) 3_656 .
C21 O10 Cu3B 110.8(7) . .
Cu3A O10 Cu3B 15.4(3) 3_656 .
Cu3A O10 Cu3B 31.8(4) . .
C21 O10 Cu3B 112.1(7) . 3_656
Cu3A O10 Cu3B 30.7(4) 3_656 3_656
Cu3A O10 Cu3B 14.3(3) . 3_656
Cu3B O10 Cu3B 46.1(7) . 3_656
C20 O11 Cu1 124.0(5) . .
C20 O12 Gd1 144.0(5) . .
Cu1 O13 Cu1 99.5(2) . 3_566
Cu1 O13 Gd1 109.9(2) . .
Cu1 O13 Gd1 109.7(2) 3_566 .
Cu1 O13 H9 115.6 . .
Cu1 O13 H9 115.4 3_566 .
Gd1 O13 H9 106.7 . .
Gd1 O1W H1 109.9 . .
Gd1 O1W H2 108.8 . .
H1 O1W H2 109.5 . .
Gd1 O2W H3 109.4 . .
Gd1 O2W H4 109.5 . .
H3 O2W H4 109.5 . .
Gd1 O3W H5 113.9 . .
Gd1 O3W H6 113.6 . .
H5 O3W H6 109.5 . .
Gd1 O4W H7 114.4 . .
Gd1 O4W H8 113.6 . .
H7 O4W H8 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O7 2.332(5) .
Gd1 O12 2.336(5) .
Gd1 O13 2.415(5) .
Gd1 O2W 2.434(6) .
Gd1 O1W 2.442(6) .
Gd1 O3 2.484(5) .
Gd1 O4 2.514(6) .
Gd1 O3W 2.527(6) .
Gd1 O4W 2.546(6) .
Gd1 C7 2.857(8) .
Cu1 O8 1.943(5) 3_566
Cu1 O11 1.955(6) .
Cu1 O13 1.978(5) .
Cu1 O13 1.983(5) 3_566
Cu1 Cu1 3.0229(19) 3_566
Cu2A O1 1.912(8) .
Cu2A O6 1.974(8) 2_645
Cu2A N1 1.978(9) .
Cu2A N2 1.995(9) 2_645
Cu2B O6 1.942(8) 2_645
Cu2B O1 1.956(8) .
Cu2B N2 1.971(9) 2_645
Cu2B N1 2.008(9) .
Cu3A Cu3A 0.559(7) 3_656
Cu3A O10 1.942(8) 3_656
Cu3A N3 1.948(9) 3_656
Cu3A N3 1.969(9) .
Cu3A O10 1.973(8) .
Cu3B Cu3B 1.65(3) 3_656
Cu3B O10 2.049(13) .
Cu3B N3 2.070(13) .
Cu3B N3 2.143(14) 3_656
Cu3B O10 2.160(13) 3_656
Cu3B I3B 2.883(14) 2_645
I2A I3A 3.049(5) .
I3A I4A 2.822(5) .
I1B I2B 2.820(5) .
I2B I3B 3.085(4) .
I3B Cu3B 2.883(14) 2_655
C1 N1 1.348(12) .
C1 C2 1.376(14) .
C1 C6 1.509(12) .
C2 C3 1.380(15) .
C2 H2A 0.9300 .
C3 C4 1.369(14) .
C3 H3A 0.9300 .
C4 C5 1.401(12) .
C4 C7 1.493(11) .
C5 N1 1.326(11) .
C5 H5A 0.9300 .
C6 O2 1.240(11) .
C6 O1 1.250(11) .
C7 O4 1.246(10) .
C7 O3 1.264(10) .
C8 N2 1.337(12) .
C8 C9 1.346(14) .
C8 C13 1.504(12) .
C9 C10 1.398(14) .
C9 H9A 0.9300 .
C10 C11 1.375(13) .
C10 H10A 0.9300 .
C11 C12 1.377(12) .
C11 C14 1.487(10) .
C12 N2 1.327(10) .
C12 H12A 0.9300 .
C13 O5 1.247(12) .
C13 O6 1.246(11) .
C14 O7 1.229(10) .
C14 O8 1.281(10) .
C15 C16 1.338(14) .
C15 N3 1.342(11) .
C15 C21 1.499(12) .
C16 C17 1.393(13) .
C16 H16A 0.9300 .
C17 C18 1.353(12) .
C17 H17A 0.9300 .
C18 C19 1.378(12) .
C18 C20 1.498(11) .
C19 N3 1.322(11) .
C19 H19A 0.9300 .
C20 O12 1.245(9) .
C20 O11 1.268(10) .
C21 O9 1.230(11) .
C21 O10 1.274(11) .
N2 Cu2B 1.971(9) 2_655
N2 Cu2A 1.995(9) 2_655
N3 Cu3A 1.948(9) 3_656
N3 Cu3B 2.143(14) 3_656
O6 Cu2B 1.942(8) 2_655
O6 Cu2A 1.974(8) 2_655
O8 Cu1 1.943(5) 3_566
O10 Cu3A 1.942(8) 3_656
O10 Cu3B 2.160(13) 3_656
O13 Cu1 1.983(5) 3_566
O13 H9 0.9909 .
O1W H1 0.9917 .
O1W H2 0.9921 .
O2W H3 0.9923 .
O2W H4 0.9918 .
O3W H5 0.9918 .
O3W H6 0.9916 .
O4W H7 0.9921 .
O4W H8 0.9914 .
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
I1B I2B I3B Cu3B 63.9(15) . 2_655
N1 C1 C2 C3 -1(2) . .
C6 C1 C2 C3 179.2(11) . .
C1 C2 C3 C4 0(2) . .
C2 C3 C4 C5 2.5(18) . .
C2 C3 C4 C7 -177.9(11) . .
C3 C4 C5 N1 -3.3(16) . .
C7 C4 C5 N1 177.1(9) . .
N1 C1 C6 O2 178.5(10) . .
C2 C1 C6 O2 -1.8(19) . .
N1 C1 C6 O1 -0.5(16) . .
C2 C1 C6 O1 179.2(12) . .
C3 C4 C7 O4 -0.8(14) . .
C5 C4 C7 O4 178.8(9) . .
C3 C4 C7 O3 -179.3(10) . .
C5 C4 C7 O3 0.3(15) . .
C3 C4 C7 Gd1 94(18) . .
C5 C4 C7 Gd1 -87(18) . .
O7 Gd1 C7 O4 -72.0(5) . .
O12 Gd1 C7 O4 74.8(5) . .
O13 Gd1 C7 O4 1.8(5) . .
O2W Gd1 C7 O4 146.7(5) . .
O1W Gd1 C7 O4 -143.1(5) . .
O3 Gd1 C7 O4 -176.2(9) . .
O3W Gd1 C7 O4 78.8(6) . .
O4W Gd1 C7 O4 -75.7(7) . .
O7 Gd1 C7 O3 104.2(5) . .
O12 Gd1 C7 O3 -109.0(5) . .
O13 Gd1 C7 O3 178.0(5) . .
O2W Gd1 C7 O3 -37.1(5) . .
O1W Gd1 C7 O3 33.1(5) . .
O4 Gd1 C7 O3 176.2(9) . .
O3W Gd1 C7 O3 -104.9(6) . .
O4W Gd1 C7 O3 100.6(6) . .
O7 Gd1 C7 C4 -168(18) . .
O12 Gd1 C7 C4 -21(18) . .
O13 Gd1 C7 C4 -94(18) . .
O2W Gd1 C7 C4 51(18) . .
O1W Gd1 C7 C4 121(18) . .
O3 Gd1 C7 C4 88(18) . .
O4 Gd1 C7 C4 -96(18) . .
O3W Gd1 C7 C4 -17(18) . .
O4W Gd1 C7 C4 -171(17) . .
N2 C8 C9 C10 3.7(18) . .
C13 C8 C9 C10 179.4(10) . .
C8 C9 C10 C11 -3.5(17) . .
C9 C10 C11 C12 1.3(16) . .
C9 C10 C11 C14 -176.0(10) . .
C10 C11 C12 N2 0.9(16) . .
C14 C11 C12 N2 178.4(9) . .
N2 C8 C13 O5 -178.3(10) . .
C9 C8 C13 O5 5.5(18) . .
N2 C8 C13 O6 1.6(14) . .
C9 C8 C13 O6 -174.6(11) . .
C10 C11 C14 O7 171.4(9) . .
C12 C11 C14 O7 -5.9(13) . .
C10 C11 C14 O8 -10.2(14) . .
C12 C11 C14 O8 172.4(9) . .
N3 C15 C16 C17 -1.5(17) . .
C21 C15 C16 C17 -179.9(11) . .
C15 C16 C17 C18 2.2(17) . .
C16 C17 C18 C19 -2.3(16) . .
C16 C17 C18 C20 179.1(10) . .
C17 C18 C19 N3 1.7(16) . .
C20 C18 C19 N3 -179.6(9) . .
C17 C18 C20 O12 -173.4(9) . .
C19 C18 C20 O12 8.0(13) . .
C17 C18 C20 O11 6.4(14) . .
C19 C18 C20 O11 -172.2(9) . .
C16 C15 C21 O9 0(2) . .
N3 C15 C21 O9 -178.7(11) . .
C16 C15 C21 O10 179.5(12) . .
N3 C15 C21 O10 1.0(16) . .
C4 C5 N1 C1 1.9(15) . .
C4 C5 N1 Cu2A 169.7(8) . .
C4 C5 N1 Cu2B -170.6(8) . .
C2 C1 N1 C5 0.4(17) . .
C6 C1 N1 C5 -179.9(9) . .
C2 C1 N1 Cu2A -170.0(11) . .
C6 C1 N1 Cu2A 9.8(12) . .
C2 C1 N1 Cu2B 174.3(10) . .
C6 C1 N1 Cu2B -6.0(12) . .
O1 Cu2A N1 C5 179.6(10) . .
O6 Cu2A N1 C5 13.9(10) 2_645 .
N2 Cu2A N1 C5 102.4(18) 2_645 .
O1 Cu2A N1 C1 -11.7(7) . .
O6 Cu2A N1 C1 -177.5(7) 2_645 .
N2 Cu2A N1 C1 -88.9(18) 2_645 .
O1 Cu2A N1 Cu2B 87.5(11) . .
O6 Cu2A N1 Cu2B -78.2(11) 2_645 .
N2 Cu2A N1 Cu2B 10.3(12) 2_645 .
O6 Cu2B N1 C5 -16.7(10) 2_645 .
O1 Cu2B N1 C5 -179.5(9) . .
N2 Cu2B N1 C5 -110.7(16) 2_645 .
O6 Cu2B N1 C1 170.3(7) 2_645 .
O1 Cu2B N1 C1 7.5(7) . .
N2 Cu2B N1 C1 76.4(17) 2_645 .
O6 Cu2B N1 Cu2A 84.2(11) 2_645 .
O1 Cu2B N1 Cu2A -78.6(11) . .
N2 Cu2B N1 Cu2A -9.8(11) 2_645 .
C11 C12 N2 C8 -0.9(15) . .
C11 C12 N2 Cu2B -169.7(7) . 2_655
C11 C12 N2 Cu2A 171.0(7) . 2_655
C9 C8 N2 C12 -1.5(16) . .
C13 C8 N2 C12 -177.7(9) . .
C9 C8 N2 Cu2B 169.1(10) . 2_655
C13 C8 N2 Cu2B -7.2(11) . 2_655
C9 C8 N2 Cu2A -174.7(10) . 2_655
C13 C8 N2 Cu2A 9.1(11) . 2_655
C18 C19 N3 C15 -1.0(16) . .
C18 C19 N3 Cu3A 169.9(8) . 3_656
C18 C19 N3 Cu3A -169.3(8) . .
C18 C19 N3 Cu3B 151.0(9) . .
C18 C19 N3 Cu3B -152.1(9) . 3_656
C16 C15 N3 C19 0.9(16) . .
C21 C15 N3 C19 179.4(10) . .
C16 C15 N3 Cu3A -171.4(10) . 3_656
C21 C15 N3 Cu3A 7.2(12) . 3_656
C16 C15 N3 Cu3A 170.9(10) . .
C21 C15 N3 Cu3A -10.6(12) . .
C16 C15 N3 Cu3B -155.3(10) . .
C21 C15 N3 Cu3B 23.2(12) . .
C16 C15 N3 Cu3B 155.3(10) . 3_656
C21 C15 N3 Cu3B -26.1(12) . 3_656
Cu3A Cu3A N3 C19 -99.1(12) 3_656 .
O10 Cu3A N3 C19 -15.1(10) 3_656 .
N3 Cu3A N3 C19 -99.1(12) 3_656 .
O10 Cu3A N3 C19 -178.9(10) . .
Cu3A Cu3A N3 C15 91.9(10) 3_656 .
O10 Cu3A N3 C15 175.9(7) 3_656 .
N3 Cu3A N3 C15 91.9(10) 3_656 .
O10 Cu3A N3 C15 12.1(7) . .
O10 Cu3A N3 Cu3A 84.0(8) 3_656 3_656
N3 Cu3A N3 Cu3A 0.000(1) 3_656 3_656
O10 Cu3A N3 Cu3A -79.8(8) . 3_656
Cu3A Cu3A N3 Cu3B 0.7(9) 3_656 .
O10 Cu3A N3 Cu3B 84.7(6) 3_656 .
N3 Cu3A N3 Cu3B 0.7(9) 3_656 .
O10 Cu3A N3 Cu3B -79.1(6) . .
Cu3A Cu3A N3 Cu3B -178.6(18) 3_656 3_656
O10 Cu3A N3 Cu3B -94.6(14) 3_656 3_656
N3 Cu3A N3 Cu3B -178.6(18) 3_656 3_656
O10 Cu3A N3 Cu3B 101.7(13) . 3_656
Cu3B Cu3B N3 C19 104.4(11) 3_656 .
O10 Cu3B N3 C19 177.8(10) . .
N3 Cu3B N3 C19 104.4(11) 3_656 .
O10 Cu3B N3 C19 41.2(11) 3_656 .
I3B Cu3B N3 C19 -68.1(11) 2_645 .
Cu3B Cu3B N3 C15 -101.5(10) 3_656 .
O10 Cu3B N3 C15 -28.1(8) . .
N3 Cu3B N3 C15 -101.5(10) 3_656 .
O10 Cu3B N3 C15 -164.7(8) 3_656 .
I3B Cu3B N3 C15 86.0(8) 2_645 .
Cu3B Cu3B N3 Cu3A 0.5(7) 3_656 3_656
O10 Cu3B N3 Cu3A 73.9(12) . 3_656
N3 Cu3B N3 Cu3A 0.5(7) 3_656 3_656
O10 Cu3B N3 Cu3A -62.7(12) 3_656 3_656
I3B Cu3B N3 Cu3A -172.0(16) 2_645 3_656
Cu3B Cu3B N3 Cu3A -0.3(3) 3_656 .
O10 Cu3B N3 Cu3A 73.1(6) . .
N3 Cu3B N3 Cu3A -0.3(3) 3_656 .
O10 Cu3B N3 Cu3A -63.5(5) 3_656 .
I3B Cu3B N3 Cu3A -172.8(8) 2_645 .
O10 Cu3B N3 Cu3B 73.4(7) . 3_656
N3 Cu3B N3 Cu3B 0.0 3_656 3_656
O10 Cu3B N3 Cu3B -63.2(7) 3_656 3_656
I3B Cu3B N3 Cu3B -172.5(10) 2_645 3_656
O2 C6 O1 Cu2A 171.4(10) . .
C1 C6 O1 Cu2A -9.7(13) . .
O2 C6 O1 Cu2B -171.8(10) . .
C1 C6 O1 Cu2B 7.1(14) . .
O6 Cu2A O1 C6 113.6(18) 2_645 .
N1 Cu2A O1 C6 12.1(9) . .
N2 Cu2A O1 C6 177.8(8) 2_645 .
O6 Cu2A O1 Cu2B 15.5(11) 2_645 .
N1 Cu2A O1 Cu2B -86.0(12) . .
N2 Cu2A O1 Cu2B 79.7(12) 2_645 .
O6 Cu2B O1 C6 -102.2(16) 2_645 .
N2 Cu2B O1 C6 -173.6(9) 2_645 .
N1 Cu2B O1 C6 -8.3(9) . .
O6 Cu2B O1 Cu2A -13.3(9) 2_645 .
N2 Cu2B O1 Cu2A -84.8(12) 2_645 .
N1 Cu2B O1 Cu2A 80.6(12) . .
O4 C7 O3 Gd1 3.9(9) . .
C4 C7 O3 Gd1 -177.7(7) . .
O7 Gd1 O3 C7 -71.9(5) . .
O12 Gd1 O3 C7 67.1(5) . .
O13 Gd1 O3 C7 -2.5(6) . .
O2W Gd1 O3 C7 141.4(6) . .
O1W Gd1 O3 C7 -146.0(6) . .
O4 Gd1 O3 C7 -2.1(5) . .
O3W Gd1 O3 C7 112.3(6) . .
O4W Gd1 O3 C7 -116.9(5) . .
O3 C7 O4 Gd1 -3.9(9) . .
C4 C7 O4 Gd1 177.7(7) . .
O7 Gd1 O4 C7 100.8(5) . .
O12 Gd1 O4 C7 -97.6(5) . .
O13 Gd1 O4 C7 -178.2(5) . .
O2W Gd1 O4 C7 -37.6(6) . .
O1W Gd1 O4 C7 42.2(6) . .
O3 Gd1 O4 C7 2.1(5) . .
O3W Gd1 O4 C7 -128.9(5) . .
O4W Gd1 O4 C7 132.2(5) . .
O5 C13 O6 Cu2B -175.2(9) . 2_655
C8 C13 O6 Cu2B 5.0(12) . 2_655
O5 C13 O6 Cu2A 168.3(9) . 2_655
C8 C13 O6 Cu2A -11.6(12) . 2_655
O8 C14 O7 Gd1 16.4(16) . .
C11 C14 O7 Gd1 -165.5(6) . .
O12 Gd1 O7 C14 64.3(10) . .
O13 Gd1 O7 C14 10.8(9) . .
O2W Gd1 O7 C14 -160.0(9) . .
O1W Gd1 O7 C14 -141.2(10) . .
O3 Gd1 O7 C14 142.4(10) . .
O4 Gd1 O7 C14 91.0(10) . .
O3W Gd1 O7 C14 -41.0(11) . .
O4W Gd1 O7 C14 -65.2(9) . .
C7 Gd1 O7 C14 116.9(10) . .
O7 C14 O8 Cu1 4.8(13) . 3_566
C11 C14 O8 Cu1 -173.4(6) . 3_566
O9 C21 O10 Cu3A 171.0(10) . 3_656
C15 C21 O10 Cu3A -8.7(14) . 3_656
O9 C21 O10 Cu3A -171.2(10) . .
C15 C21 O10 Cu3A 9.2(14) . .
O9 C21 O10 Cu3B 154.5(11) . .
C15 C21 O10 Cu3B -25.1(14) . .
O9 C21 O10 Cu3B -155.8(11) . 3_656
C15 C21 O10 Cu3B 24.6(14) . 3_656
Cu3A Cu3A O10 C21 -92.6(11) 3_656 .
O10 Cu3A O10 C21 -92.6(11) 3_656 .
N3 Cu3A O10 C21 -175.6(9) 3_656 .
N3 Cu3A O10 C21 -11.8(9) . .
O10 Cu3A O10 Cu3A 0.000(2) 3_656 3_656
N3 Cu3A O10 Cu3A -83.0(8) 3_656 3_656
N3 Cu3A O10 Cu3A 80.8(8) . 3_656
Cu3A Cu3A O10 Cu3B -0.3(9) 3_656 .
O10 Cu3A O10 Cu3B -0.3(9) 3_656 .
N3 Cu3A O10 Cu3B -83.3(6) 3_656 .
N3 Cu3A O10 Cu3B 80.5(6) . .
Cu3A Cu3A O10 Cu3B 179.3(18) 3_656 3_656
O10 Cu3A O10 Cu3B 179.3(18) 3_656 3_656
N3 Cu3A O10 Cu3B 96.3(13) 3_656 3_656
N3 Cu3A O10 Cu3B -99.9(13) . 3_656
Cu3B Cu3B O10 C21 101.1(11) 3_656 .
N3 Cu3B O10 C21 29.1(9) . .
N3 Cu3B O10 C21 165.4(9) 3_656 .
O10 Cu3B O10 C21 101.1(11) 3_656 .
I3B Cu3B O10 C21 -80.4(9) 2_645 .
Cu3B Cu3B O10 Cu3A -0.2(6) 3_656 3_656
N3 Cu3B O10 Cu3A -72.2(12) . 3_656
N3 Cu3B O10 Cu3A 64.0(12) 3_656 3_656
O10 Cu3B O10 Cu3A -0.2(6) 3_656 3_656
I3B Cu3B O10 Cu3A 178.3(16) 2_645 3_656
Cu3B Cu3B O10 Cu3A 0.1(3) 3_656 .
N3 Cu3B O10 Cu3A -71.8(6) . .
N3 Cu3B O10 Cu3A 64.4(5) 3_656 .
O10 Cu3B O10 Cu3A 0.1(3) 3_656 .
I3B Cu3B O10 Cu3A 178.7(8) 2_645 .
N3 Cu3B O10 Cu3B -72.0(7) . 3_656
N3 Cu3B O10 Cu3B 64.3(7) 3_656 3_656
O10 Cu3B O10 Cu3B 0.0 3_656 3_656
I3B Cu3B O10 Cu3B 178.6(11) 2_645 3_656
O12 C20 O11 Cu1 -13.4(13) . .
C18 C20 O11 Cu1 166.9(6) . .
O8 Cu1 O11 C20 -123.2(7) 3_566 .
O13 Cu1 O11 C20 50.2(7) . .
O13 Cu1 O11 C20 114.5(18) 3_566 .
Cu1 Cu1 O11 C20 56.2(8) 3_566 .
O11 C20 O12 Gd1 -2.1(16) . .
C18 C20 O12 Gd1 177.7(7) . .
O7 Gd1 O12 C20 -73.1(10) . .
O13 Gd1 O12 C20 -19.4(10) . .
O2W Gd1 O12 C20 134.1(10) . .
O1W Gd1 O12 C20 149.2(9) . .
O3 Gd1 O12 C20 -150.9(10) . .
O4 Gd1 O12 C20 -99.8(10) . .
O3W Gd1 O12 C20 56.3(10) . .
O4W Gd1 O12 C20 32.4(11) . .
C7 Gd1 O12 C20 -126.1(10) . .
O8 Cu1 O13 Cu1 -62.6(17) 3_566 3_566
O11 Cu1 O13 Cu1 173.6(3) . 3_566
O13 Cu1 O13 Cu1 0.0 3_566 3_566
O8 Cu1 O13 Gd1 52.4(17) 3_566 .
O11 Cu1 O13 Gd1 -71.4(3) . .
O13 Cu1 O13 Gd1 115.1(3) 3_566 .
Cu1 Cu1 O13 Gd1 115.1(3) 3_566 .
O7 Gd1 O13 Cu1 -160.7(3) . .
O12 Gd1 O13 Cu1 52.8(2) . .
O2W Gd1 O13 Cu1 10.2(4) . .
O1W Gd1 O13 Cu1 -116.5(3) . .
O3 Gd1 O13 Cu1 126.4(3) . .
O4 Gd1 O13 Cu1 126.1(3) . .
O3W Gd1 O13 Cu1 -18.6(2) . .
O4W Gd1 O13 Cu1 -89.2(2) . .
C7 Gd1 O13 Cu1 125.3(2) . .
O7 Gd1 O13 Cu1 -52.3(2) . 3_566
O12 Gd1 O13 Cu1 161.2(3) . 3_566
O2W Gd1 O13 Cu1 118.6(4) . 3_566
O1W Gd1 O13 Cu1 -8.1(4) . 3_566
O3 Gd1 O13 Cu1 -125.2(3) . 3_566
O4 Gd1 O13 Cu1 -125.5(3) . 3_566
O3W Gd1 O13 Cu1 89.8(2) . 3_566
O4W Gd1 O13 Cu1 19.2(2) . 3_566
C7 Gd1 O13 Cu1 -126.3(3) . 3_566
