#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:44:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180353 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/22/7202266.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_7202266
loop_
_publ_author_name
'Luo, Feng'
'Yang, Yu-ting'
'Che, Yun-xia'
'Zheng, Ji-min'
_publ_section_title
;
 Construction of Cu(II)--Gd(III) metal--organic framework by the
 introduction of a small amino acid molecule: hydrothermal synthesis,
 structure, thermostability, and magnetic studies
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1613
_journal_paper_doi               10.1039/b808464e
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C38 H36 Cu Gd2 N2 O23'
_chemical_formula_weight         1266.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.70(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.765(4)
_cell_length_b                   13.122(3)
_cell_length_c                   16.206(3)
_cell_measurement_reflns_used    16671
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.10
_cell_volume                     4300.4(17)
_computing_cell_refinement       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_collection       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_reduction        'CrystalStructure(Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'rigaku r-axis rapid IP area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20131
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.10
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    3.630
_exptl_absorpt_correction_T_max  0.6597
_exptl_absorpt_correction_T_min  0.5643
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.956
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2476
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.00017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4917
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0058P)²+23.4715P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0564
_reflns_number_gt                4337
_reflns_number_total             4917
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b808464e.txt
_cod_data_source_block           shelxl
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4300.5(15)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7202266
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_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
C1 C 0.94823(17) 0.6488(3) 0.8055(2) 0.0215(7) Uani 1 1 d . . .
C2 C 0.95213(17) 0.5452(3) 0.8455(3) 0.0243(8) Uani 1 1 d . . .
C3 C 1.01208(19) 0.4987(3) 0.8935(3) 0.0392(11) Uani 1 1 d . . .
H3 H 1.0516 0.5317 0.9010 0.047 Uiso 1 1 calc R . .
C4 C 1.0129(2) 0.4038(4) 0.9301(4) 0.0469(13) Uani 1 1 d . . .
H4 H 1.0531 0.3731 0.9628 0.056 Uiso 1 1 calc R . .
C5 C 0.9544(2) 0.3536(3) 0.9187(3) 0.0416(11) Uani 1 1 d . . .
H5 H 0.9553 0.2903 0.9448 0.050 Uiso 1 1 calc R . .
C6 C 0.89335(17) 0.4936(3) 0.8320(2) 0.0227(7) Uani 1 1 d . . .
H6 H 0.8531 0.5235 0.7983 0.027 Uiso 1 1 calc R . .
C7 C 0.89449(18) 0.3979(3) 0.8684(3) 0.0259(8) Uani 1 1 d . . .
C8 C 0.82982(17) 0.3451(3) 0.8528(2) 0.0216(7) Uani 1 1 d . . .
C9 C 0.73895(16) 0.0733(3) 0.9765(2) 0.0176(7) Uani 1 1 d . . .
C10 C 0.71656(17) -0.0338(2) 0.9814(2) 0.0189(7) Uani 1 1 d . . .
C11 C 0.68887(19) -0.0925(3) 0.9048(2) 0.0258(8) Uani 1 1 d . . .
H11 H 0.6856 -0.0660 0.8501 0.031 Uiso 1 1 calc R . .
C12 C 0.6662(2) -0.1901(3) 0.9098(3) 0.0305(9) Uani 1 1 d . . .
H12 H 0.6480 -0.2291 0.8585 0.037 Uiso 1 1 calc R . .
C13 C 0.67056(19) -0.2296(3) 0.9908(3) 0.0267(8) Uani 1 1 d . . .
H13 H 0.6549 -0.2949 0.9938 0.032 Uiso 1 1 calc R . .
C14 C 0.69830(17) -0.1722(3) 1.0681(2) 0.0205(7) Uani 1 1 d . . .
C15 C 0.72129(17) -0.0746(2) 1.0624(2) 0.0198(7) Uani 1 1 d . . .
H15 H 0.7401 -0.0361 1.1138 0.024 Uiso 1 1 calc R . .
C16 C 0.70253(17) -0.2131(3) 1.1564(2) 0.0215(7) Uani 1 1 d . . .
C17 C 0.58500(18) 0.4390(3) 0.7102(3) 0.0246(8) Uani 1 1 d . A .
C18 C 0.6037(2) 0.5192(4) 0.6561(4) 0.0478(13) Uani 1 1 d . . .
C19 C 0.5878(6) 0.6177(8) 0.6875(15) 0.206(14) Uani 0.646(12) 1 d P A 1
H19A H 0.6130 0.6249 0.7499 0.309 Uiso 0.646(12) 1 calc PR A 1
H19B H 0.5415 0.6200 0.6774 0.309 Uiso 0.646(12) 1 calc PR A 1
H19C H 0.5985 0.6723 0.6557 0.309 Uiso 0.646(12) 1 calc PR A 1
C19' C 0.5722(7) 0.5100(14) 0.5579(10) 0.067(6) Uani 0.354(12) 1 d P A 2
H19D H 0.5274 0.5336 0.5386 0.100 Uiso 0.354(12) 1 calc PR A 2
H19E H 0.5727 0.4399 0.5410 0.100 Uiso 0.354(12) 1 calc PR A 2
H19F H 0.5963 0.5504 0.5307 0.100 Uiso 0.354(12) 1 calc PR A 2
Cu2 Cu 0.5000 0.31292(5) 0.7500 0.02252(14) Uani 1 2 d S . .
Gd1 Gd 0.702730(8) 0.265244(11) 0.831043(11) 0.01490(6) Uani 1 1 d . . .
H1A H 0.6478(19) 0.249(3) 0.9784(7) 0.050(15) Uiso 1 1 d D . .
H2A H 0.5965(13) 0.213(3) 0.898(2) 0.056(16) Uiso 1 1 d D . .
N1 N 0.67509(17) 0.5117(3) 0.6714(2) 0.0329(8) Uani 1 1 d . A .
H1B H 0.6827 0.5412 0.6266 0.049 Uiso 1 1 calc R . .
H1C H 0.6869 0.4464 0.6749 0.049 Uiso 1 1 calc R . .
H1D H 0.6986 0.5431 0.7220 0.049 Uiso 1 1 calc R . .
O1 O 0.77748(11) 0.38416(18) 0.79904(17) 0.0221(5) Uani 1 1 d . . .
O2 O 0.82836(12) 0.26327(19) 0.89325(18) 0.0275(6) Uani 1 1 d . . .
O3 O 0.89546(12) 0.67631(19) 0.74687(18) 0.0256(6) Uani 1 1 d . . .
O4 O 0.99972(12) 0.70453(19) 0.83261(18) 0.0275(6) Uani 1 1 d . . .
O5 O 0.73558(13) 0.10595(18) 0.90108(17) 0.0240(5) Uani 1 1 d . . .
O6 O 0.75952(13) 0.12508(18) 1.04580(17) 0.0262(6) Uani 1 1 d . . .
O7 O 0.73596(13) -0.16502(19) 1.22606(16) 0.0243(5) Uani 1 1 d . . .
O8 O 0.67079(13) -0.29293(19) 1.15943(18) 0.0277(6) Uani 1 1 d . . .
O9 O 0.62762(13) 0.40657(19) 0.77952(17) 0.0247(6) Uani 1 1 d . . .
O10 O 0.52430(13) 0.4162(2) 0.6811(2) 0.0343(7) Uani 1 1 d . . .
O12 O 0.63288(13) 0.2452(2) 0.92193(18) 0.0306(6) Uani 1 1 d 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'
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
_geom_angle_publ_flag
O3 C1 O4 122.9(3) . . ?
O3 C1 C2 119.0(3) . . ?
O4 C1 C2 118.1(3) . . ?
C3 C2 C6 119.6(3) . . ?
C3 C2 C1 122.2(3) . . ?
C6 C2 C1 118.2(3) . . ?
C4 C3 C2 119.9(4) . . ?
C3 C4 C5 120.5(4) . . ?
C4 C5 C7 119.9(4) . . ?
C7 C6 C2 120.3(3) . . ?
C5 C7 C6 119.8(4) . . ?
C5 C7 C8 121.7(3) . . ?
C6 C7 C8 118.6(3) . . ?
O1 C8 O2 121.0(3) . . ?
O1 C8 C7 118.7(3) . . ?
O2 C8 C7 120.4(3) . . ?
O1 C8 Gd1 58.44(17) . . ?
O2 C8 Gd1 62.83(18) . . ?
C7 C8 Gd1 173.5(3) . . ?
O6 C9 O5 123.8(3) . . ?
O6 C9 C10 118.6(3) . . ?
O5 C9 C10 117.6(3) . . ?
C15 C10 C11 119.1(3) . . ?
C15 C10 C9 120.0(3) . . ?
C11 C10 C9 120.9(3) . . ?
C12 C11 C10 120.3(3) . . ?
C13 C12 C11 120.1(4) . . ?
C12 C13 C14 120.4(3) . . ?
C15 C14 C13 119.0(3) . . ?
C15 C14 C16 119.8(3) . . ?
C13 C14 C16 121.2(3) . . ?
C10 C15 C14 121.1(3) . . ?
O7 C16 O8 121.4(3) . . ?
O7 C16 C14 119.1(3) . . ?
O8 C16 C14 119.5(3) . . ?
O7 C16 Gd1 56.95(18) . 6_556 ?
O8 C16 Gd1 64.65(19) . 6_556 ?
C14 C16 Gd1 171.9(2) . 6_556 ?
O9 C17 O10 125.9(3) . . ?
O9 C17 C18 119.4(3) . . ?
O10 C17 C18 114.6(3) . . ?
C19 C18 N1 111.4(6) . . ?
C19 C18 C19' 111.5(11) . . ?
N1 C18 C19' 102.4(7) . . ?
C19 C18 C17 105.0(6) . . ?
N1 C18 C17 110.2(3) . . ?
C19' C18 C17 116.5(7) . . ?
O10 Cu2 O10 91.89(18) 2_656 . ?
O10 Cu2 O4 165.54(11) 2_656 4_646 ?
O10 Cu2 O4 92.50(12) . 4_646 ?
O10 Cu2 O4 92.50(12) 2_656 3_445 ?
O10 Cu2 O4 165.54(11) . 3_445 ?
O4 Cu2 O4 86.63(16) 4_646 3_445 ?
O6 Gd1 O3 136.33(9) 7_657 4_646 ?
O6 Gd1 O5 100.69(9) 7_657 . ?
O3 Gd1 O5 82.66(9) 4_646 . ?
O6 Gd1 O9 78.59(9) 7_657 . ?
O3 Gd1 O9 80.23(9) 4_646 . ?
O5 Gd1 O9 153.51(9) . . ?
O6 Gd1 O1 74.81(9) 7_657 . ?
O3 Gd1 O1 138.33(9) 4_646 . ?
O5 Gd1 O1 124.09(8) . . ?
O9 Gd1 O1 81.64(8) . . ?
O6 Gd1 O7 144.58(9) 7_657 6 ?
O3 Gd1 O7 78.73(9) 4_646 6 ?
O5 Gd1 O7 75.22(8) . 6 ?
O9 Gd1 O7 120.47(9) . 6 ?
O1 Gd1 O7 78.80(9) . 6 ?
O6 Gd1 O12 70.15(9) 7_657 . ?
O3 Gd1 O12 68.47(9) 4_646 . ?
O5 Gd1 O12 76.40(9) . . ?
O9 Gd1 O12 78.57(9) . . ?
O1 Gd1 O12 142.41(9) . . ?
O7 Gd1 O12 138.76(9) 6 . ?
O6 Gd1 O2 71.46(9) 7_657 . ?
O3 Gd1 O2 147.06(9) 4_646 . ?
O5 Gd1 O2 73.13(9) . . ?
O9 Gd1 O2 129.68(8) . . ?
O1 Gd1 O2 52.24(8) . . ?
O7 Gd1 O2 73.78(9) 6 . ?
O12 Gd1 O2 124.53(9) . . ?
O6 Gd1 O8 133.35(8) 7_657 6 ?
O3 Gd1 O8 70.63(9) 4_646 6 ?
O5 Gd1 O8 123.06(8) . 6 ?
O9 Gd1 O8 69.32(8) . 6 ?
O1 Gd1 O8 67.91(9) . 6 ?
O7 Gd1 O8 51.19(8) 6 6 ?
O12 Gd1 O8 131.23(9) . 6 ?
O2 Gd1 O8 104.24(9) . 6 ?
O6 Gd1 C8 69.61(10) 7_657 . ?
O3 Gd1 C8 153.54(10) 4_646 . ?
O5 Gd1 C8 99.11(10) . . ?
O9 Gd1 C8 105.22(10) . . ?
O1 Gd1 C8 26.04(9) . . ?
O7 Gd1 C8 76.28(9) 6 . ?
O12 Gd1 C8 137.80(10) . . ?
O2 Gd1 C8 26.29(9) . . ?
O8 Gd1 C8 86.86(10) 6 . ?
O6 Gd1 C16 147.63(9) 7_657 6 ?
O3 Gd1 C16 71.75(9) 4_646 6 ?
O5 Gd1 C16 98.68(9) . 6 ?
O9 Gd1 C16 94.99(10) . 6 ?
O1 Gd1 C16 72.86(9) . 6 ?
O7 Gd1 C16 25.49(9) 6 6 ?
O12 Gd1 C16 140.22(9) . 6 ?
O2 Gd1 C16 89.88(10) . 6 ?
O8 Gd1 C16 25.77(9) 6 6 ?
C8 Gd1 C16 81.92(10) . 6 ?
C8 O1 Gd1 95.5(2) . . ?
C8 O2 Gd1 90.9(2) . . ?
C1 O3 Gd1 162.6(3) . 4_656 ?
C1 O4 Cu2 114.1(2) . 3 ?
C9 O5 Gd1 131.4(2) . . ?
C9 O6 Gd1 175.2(2) . 7_657 ?
C16 O7 Gd1 97.6(2) . 6_556 ?
C16 O8 Gd1 89.6(2) . 6_556 ?
C17 O9 Gd1 139.8(2) . . ?
C17 O10 Cu2 114.8(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O3 1.243(4) . ?
C1 O4 1.273(4) . ?
C1 C2 1.494(5) . ?
C2 C3 1.389(5) . ?
C2 C6 1.392(5) . ?
C3 C4 1.377(6) . ?
C4 C5 1.384(6) . ?
C5 C7 1.383(5) . ?
C6 C7 1.384(5) . ?
C7 C8 1.504(5) . ?
C8 O1 1.259(4) . ?
C8 O2 1.265(4) . ?
C8 Gd1 2.855(4) . ?
C9 O6 1.246(4) . ?
C9 O5 1.271(4) . ?
C9 C10 1.499(5) . ?
C10 C15 1.386(5) . ?
C10 C11 1.394(5) . ?
C11 C12 1.387(5) . ?
C12 C13 1.381(5) . ?
C13 C14 1.393(5) . ?
C14 C15 1.391(5) . ?
C14 C16 1.499(5) . ?
C16 O7 1.263(4) . ?
C16 O8 1.265(4) . ?
C16 Gd1 2.911(4) 6_556 ?
C17 O9 1.238(5) . ?
C17 O10 1.264(4) . ?
C17 C18 1.518(5) . ?
C18 C19 1.477(15) . ?
C18 N1 1.483(5) . ?
C18 C19' 1.486(16) . ?
Cu2 O10 1.949(3) 2_656 ?
Cu2 O10 1.949(3) . ?
Cu2 O4 1.955(3) 4_646 ?
Cu2 O4 1.955(3) 3_445 ?
Gd1 O6 2.349(3) 7_657 ?
Gd1 O3 2.351(2) 4_646 ?
Gd1 O5 2.360(2) . ?
Gd1 O9 2.408(2) . ?
Gd1 O1 2.444(2) . ?
Gd1 O7 2.461(2) 6 ?
Gd1 O12 2.491(3) . ?
Gd1 O2 2.541(3) . ?
Gd1 O8 2.631(3) 6 ?
Gd1 C16 2.911(4) 6 ?
O3 Gd1 2.351(2) 4_656 ?
O4 Cu2 1.955(3) 3 ?
O6 Gd1 2.349(3) 7_657 ?
O7 Gd1 2.461(2) 6_556 ?
O8 Gd1 2.631(3) 6_556 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 C1 C2 C3 163.2(4) . . . . ?
O4 C1 C2 C3 -15.9(6) . . . . ?
O3 C1 C2 C6 -15.4(5) . . . . ?
O4 C1 C2 C6 165.5(3) . . . . ?
C6 C2 C3 C4 -2.4(7) . . . . ?
C1 C2 C3 C4 179.0(4) . . . . ?
C2 C3 C4 C5 0.7(8) . . . . ?
C3 C4 C5 C7 1.6(8) . . . . ?
C3 C2 C6 C7 2.0(6) . . . . ?
C1 C2 C6 C7 -179.4(4) . . . . ?
C4 C5 C7 C6 -2.0(7) . . . . ?
C4 C5 C7 C8 178.8(4) . . . . ?
C2 C6 C7 C5 0.2(6) . . . . ?
C2 C6 C7 C8 179.5(3) . . . . ?
C5 C7 C8 O1 -172.7(4) . . . . ?
C6 C7 C8 O1 8.1(5) . . . . ?
C5 C7 C8 O2 7.4(6) . . . . ?
C6 C7 C8 O2 -171.8(4) . . . . ?
C5 C7 C8 Gd1 125(2) . . . . ?
C6 C7 C8 Gd1 -54(3) . . . . ?
O6 C9 C10 C15 -2.4(5) . . . . ?
O5 C9 C10 C15 177.8(3) . . . . ?
O6 C9 C10 C11 175.5(3) . . . . ?
O5 C9 C10 C11 -4.3(5) . . . . ?
C15 C10 C11 C12 0.3(6) . . . . ?
C9 C10 C11 C12 -177.7(3) . . . . ?
C10 C11 C12 C13 0.4(6) . . . . ?
C11 C12 C13 C14 -0.6(6) . . . . ?
C12 C13 C14 C15 0.2(6) . . . . ?
C12 C13 C14 C16 179.0(3) . . . . ?
C11 C10 C15 C14 -0.7(5) . . . . ?
C9 C10 C15 C14 177.3(3) . . . . ?
C13 C14 C15 C10 0.4(5) . . . . ?
C16 C14 C15 C10 -178.4(3) . . . . ?
C15 C14 C16 O7 -10.8(5) . . . . ?
C13 C14 C16 O7 170.3(3) . . . . ?
C15 C14 C16 O8 166.7(3) . . . . ?
C13 C14 C16 O8 -12.1(5) . . . . ?
C15 C14 C16 Gd1 47.8(19) . . . 6_556 ?
C13 C14 C16 Gd1 -131.0(17) . . . 6_556 ?
O9 C17 C18 C19 -93.6(8) . . . . ?
O10 C17 C18 C19 82.3(9) . . . . ?
O9 C17 C18 N1 26.5(6) . . . . ?
O10 C17 C18 N1 -157.6(4) . . . . ?
O9 C17 C18 C19' 142.5(9) . . . . ?
O10 C17 C18 C19' -41.6(10) . . . . ?
O1 C8 Gd1 O6 -97.1(2) . . . 7_657 ?
O2 C8 Gd1 O6 89.2(2) . . . 7_657 ?
C7 C8 Gd1 O6 -32(2) . . . 7_657 ?
O1 C8 Gd1 O3 73.0(3) . . . 4_646 ?
O2 C8 Gd1 O3 -100.7(3) . . . 4_646 ?
C7 C8 Gd1 O3 138(2) . . . 4_646 ?
O1 C8 Gd1 O5 164.8(2) . . . . ?
O2 C8 Gd1 O5 -8.9(2) . . . . ?
C7 C8 Gd1 O5 -130(2) . . . . ?
O1 C8 Gd1 O9 -25.8(2) . . . . ?
O2 C8 Gd1 O9 160.6(2) . . . . ?
C7 C8 Gd1 O9 40(2) . . . . ?
O2 C8 Gd1 O1 -173.6(4) . . . . ?
C7 C8 Gd1 O1 65(2) . . . . ?
O1 C8 Gd1 O7 92.5(2) . . . 6 ?
O2 C8 Gd1 O7 -81.1(2) . . . 6 ?
C7 C8 Gd1 O7 158(2) . . . 6 ?
O1 C8 Gd1 O12 -115.5(2) . . . . ?
O2 C8 Gd1 O12 70.9(3) . . . . ?
C7 C8 Gd1 O12 -50(2) . . . . ?
O1 C8 Gd1 O2 173.6(4) . . . . ?
C7 C8 Gd1 O2 -121(2) . . . . ?
O1 C8 Gd1 O8 41.8(2) . . . 6 ?
O2 C8 Gd1 O8 -131.8(2) . . . 6 ?
C7 C8 Gd1 O8 107(2) . . . 6 ?
O1 C8 Gd1 C16 67.2(2) . . . 6 ?
O2 C8 Gd1 C16 -106.4(2) . . . 6 ?
C7 C8 Gd1 C16 133(2) . . . 6 ?
O2 C8 O1 Gd1 6.6(4) . . . . ?
C7 C8 O1 Gd1 -173.3(3) . . . . ?
O6 Gd1 O1 C8 74.5(2) 7_657 . . . ?
O3 Gd1 O1 C8 -140.1(2) 4_646 . . . ?
O5 Gd1 O1 C8 -18.2(2) . . . . ?
O9 Gd1 O1 C8 154.9(2) . . . . ?
O7 Gd1 O1 C8 -81.6(2) 6 . . . ?
O12 Gd1 O1 C8 96.2(2) . . . . ?
O2 Gd1 O1 C8 -3.6(2) . . . . ?
O8 Gd1 O1 C8 -134.1(2) 6 . . . ?
C16 Gd1 O1 C8 -107.2(2) 6 . . . ?
O1 C8 O2 Gd1 -6.3(3) . . . . ?
C7 C8 O2 Gd1 173.6(3) . . . . ?
O6 Gd1 O2 C8 -81.3(2) 7_657 . . . ?
O3 Gd1 O2 C8 126.4(2) 4_646 . . . ?
O5 Gd1 O2 C8 170.9(2) . . . . ?
O9 Gd1 O2 C8 -24.6(3) . . . . ?
O1 Gd1 O2 C8 3.5(2) . . . . ?
O7 Gd1 O2 C8 91.8(2) 6 . . . ?
O12 Gd1 O2 C8 -129.6(2) . . . . ?
O8 Gd1 O2 C8 50.1(2) 6 . . . ?
C16 Gd1 O2 C8 71.8(2) 6 . . . ?
O4 C1 O3 Gd1 -64.4(9) . . . 4_656 ?
C2 C1 O3 Gd1 116.5(7) . . . 4_656 ?
O3 C1 O4 Cu2 -20.0(4) . . . 3 ?
C2 C1 O4 Cu2 159.1(3) . . . 3 ?
O6 C9 O5 Gd1 -40.7(5) . . . . ?
C10 C9 O5 Gd1 139.2(3) . . . . ?
O6 Gd1 O5 C9 34.2(3) 7_657 . . . ?
O3 Gd1 O5 C9 -101.7(3) 4_646 . . . ?
O9 Gd1 O5 C9 -51.7(4) . . . . ?
O1 Gd1 O5 C9 113.0(3) . . . . ?
O7 Gd1 O5 C9 178.1(3) 6 . . . ?
O12 Gd1 O5 C9 -32.2(3) . . . . ?
O2 Gd1 O5 C9 100.9(3) . . . . ?
O8 Gd1 O5 C9 -162.8(3) 6 . . . ?
C8 Gd1 O5 C9 105.0(3) . . . . ?
C16 Gd1 O5 C9 -171.9(3) 6 . . . ?
O5 C9 O6 Gd1 15(3) . . . 7_657 ?
C10 C9 O6 Gd1 -164(3) . . . 7_657 ?
O8 C16 O7 Gd1 -5.7(4) . . . 6_556 ?
C14 C16 O7 Gd1 171.7(3) . . . 6_556 ?
O7 C16 O8 Gd1 5.3(3) . . . 6_556 ?
C14 C16 O8 Gd1 -172.2(3) . . . 6_556 ?
O10 C17 O9 Gd1 87.9(5) . . . . ?
C18 C17 O9 Gd1 -96.7(5) . . . . ?
O6 Gd1 O9 C17 169.1(4) 7_657 . . . ?
O3 Gd1 O9 C17 -49.3(4) 4_646 . . . ?
O5 Gd1 O9 C17 -99.8(4) . . . . ?
O1 Gd1 O9 C17 93.0(4) . . . . ?
O7 Gd1 O9 C17 21.3(4) 6 . . . ?
O12 Gd1 O9 C17 -119.2(4) . . . . ?
O2 Gd1 O9 C17 115.1(4) . . . . ?
O8 Gd1 O9 C17 23.5(4) 6 . . . ?
C8 Gd1 O9 C17 104.1(4) . . . . ?
C16 Gd1 O9 C17 21.1(4) 6 . . . ?
O9 C17 O10 Cu2 -4.7(5) . . . . ?
C18 C17 O10 Cu2 179.7(3) . . . . ?
O10 Cu2 O10 C17 94.8(3) 2_656 . . . ?
O4 Cu2 O10 C17 -99.0(3) 4_646 . . . ?
O4 Cu2 O10 C17 -12.8(7) 3_445 . . . ?
