#------------------------------------------------------------------------------
#$Date: 2021-05-31 11:41:46 +0300 (Mon, 31 May 2021) $
#$Revision: 265630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/30/1563004.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_1563004
loop_
_publ_author_name
'Tang, Qun'
'Liu, Shu-Xia'
'Liang, Da-Dong'
'Ma, Feng-Ji'
'Ren, Guo-Jian'
'Wei, Feng'
'Yang, Yuan'
'Li, Cong-Cong'
_publ_section_title
;
 Lanthanide-organic complexes based on polyoxometalates: Solvent effect on
 the luminescence properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              85
_journal_page_last               91
_journal_paper_doi               10.1016/j.jssc.2012.02.006
_journal_volume                  190
_journal_year                    2012
_chemical_formula_moiety         'C52 H68 Gd2 N16 O32, O19 W6'
_chemical_formula_sum            'C52 H68 Gd2 N16 O51 W6'
_chemical_formula_weight         3150.76
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.011(8)
_cell_angle_beta                 110.226(7)
_cell_angle_gamma                100.687(8)
_cell_formula_units_Z            1
_cell_length_a                   12.927(8)
_cell_length_b                   13.338(8)
_cell_length_c                   15.204(9)
_cell_measurement_reflns_used    2564
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.40
_cell_measurement_theta_min      1.73
_cell_volume                     2170(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.867
_diffrn_measured_fraction_theta_max 0.867
_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  0.0575
_diffrn_reflns_av_sigmaI/netI    0.1266
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12737
_diffrn_reflns_theta_full        28.40
_diffrn_reflns_theta_max         28.40
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    9.530
_exptl_absorpt_correction_T_max  0.198
_exptl_absorpt_correction_T_min  0.093
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.411
_exptl_crystal_density_meas      2.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         5.008
_refine_diff_density_min         -2.882
_refine_diff_density_rms         0.501
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         10892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1506
_refine_ls_R_factor_gt           0.1165
_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)+(0.0805P)²+292.0146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3059
_refine_ls_wR_factor_ref         0.3234
_reflns_number_gt                6290
_reflns_number_total             10892
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-190-85.cif
_cod_data_source_block           compound-5
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1563004
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.378(2) 0.398(2) 0.242(2) 0.027(6) Uani 1 1 d . . .
H1 H 0.3590 0.3282 0.1866 0.032 Uiso 1 1 calc R . .
C2 C 0.439(2) 0.501(2) 0.2481(19) 0.023(5) Uani 1 1 d . . .
C3 C 0.467(2) 0.605(2) 0.329(2) 0.031(6) Uani 1 1 d . . .
H3 H 0.5024 0.6724 0.3289 0.037 Uiso 1 1 calc R . .
C4 C 0.439(3) 0.604(3) 0.411(2) 0.033(6) Uani 1 1 d . . .
C5 C 0.349(3) 0.406(2) 0.325(2) 0.031(6) Uani 1 1 d . . .
C6 C 0.381(3) 0.508(3) 0.410(3) 0.040(8) Uani 1 1 d . . .
H6 H 0.3630 0.5111 0.4642 0.049 Uiso 1 1 calc R . .
C7 C 0.445(2) 0.781(3) -0.106(3) 0.042(8) Uani 1 1 d . . .
H7 H 0.4751 0.7339 -0.1426 0.050 Uiso 1 1 calc R . .
C8 C 0.157(2) 0.480(2) -0.105(2) 0.028(6) Uani 1 1 d . . .
C9 C 0.155(3) 0.593(2) -0.075(3) 0.038(8) Uani 1 1 d . . .
H9 H 0.2232 0.6558 -0.0436 0.046 Uiso 1 1 calc R . .
C10 C 0.057(2) 0.389(3) -0.146(3) 0.051(9) Uani 1 1 d . . .
H10 H 0.0582 0.3150 -0.1627 0.061 Uiso 1 1 calc R . .
C11 C 0.806(3) 0.869(3) 0.125(3) 0.044(8) Uani 1 1 d . . .
H11 H 0.8349 0.8597 0.1854 0.053 Uiso 1 1 calc R . .
C12 C 0.405(3) 0.848(4) 0.166(3) 0.052(10) Uani 1 1 d . . .
H12 H 0.3590 0.8406 0.0996 0.063 Uiso 1 1 calc R . .
C13 C 0.044(4) 0.605(3) -0.096(3) 0.054(9) Uani 1 1 d . . .
C14 C -0.045(3) 0.412(3) -0.160(3) 0.050(10) Uani 1 1 d . . .
C15 C 0.402(4) 0.845(4) -0.241(3) 0.066(12) Uani 1 1 d . . .
H15A H 0.4414 0.7953 -0.2662 0.098 Uiso 1 1 calc R . .
H15B H 0.4432 0.9210 -0.2274 0.098 Uiso 1 1 calc R . .
H15C H 0.3231 0.8199 -0.2937 0.098 Uiso 1 1 calc R . .
C16 C 0.325(3) 0.996(3) 0.236(4) 0.060(11) Uani 1 1 d . . .
H16A H 0.3609 1.0667 0.2984 0.091 Uiso 1 1 calc R . .
H16B H 0.2480 0.9579 0.2256 0.091 Uiso 1 1 calc R . .
H16C H 0.3190 1.0109 0.1773 0.091 Uiso 1 1 calc R . .
C17 C -0.054(3) 0.514(4) -0.137(3) 0.057(10) Uani 1 1 d . . .
H17 H -0.1267 0.5227 -0.1496 0.068 Uiso 1 1 calc R . .
C18 C 1.008(3) 0.964(4) 0.165(3) 0.072(13) Uani 1 1 d . . .
H18A H 1.0339 1.0446 0.2049 0.108 Uiso 1 1 calc R . .
H18B H 1.0481 0.9465 0.1220 0.108 Uiso 1 1 calc R . .
H18C H 1.0247 0.9284 0.2109 0.108 Uiso 1 1 calc R . .
C19 C 0.454(5) 0.931(5) 0.350(3) 0.086(16) Uani 1 1 d . . .
H19A H 0.4148 0.8633 0.3512 0.130 Uiso 1 1 calc R . .
H19B H 0.4518 0.9961 0.4002 0.130 Uiso 1 1 calc R . .
H19C H 0.5346 0.9369 0.3659 0.130 Uiso 1 1 calc R . .
C20 C 0.729(3) 0.815(3) 0.338(3) 0.050(10) Uani 1 1 d . . .
H20 H 0.7097 0.7432 0.3360 0.060 Uiso 1 1 calc R . .
C21 C 0.840(4) 0.943(5) 0.006(5) 0.091(18) Uani 1 1 d . . .
H21A H 0.8888 0.9308 -0.0290 0.137 Uiso 1 1 calc R . .
H21B H 0.8419 1.0205 0.0272 0.137 Uiso 1 1 calc R . .
H21C H 0.7605 0.8928 -0.0409 0.137 Uiso 1 1 calc R . .
C22 C 0.832(6) 0.891(5) 0.526(3) 0.11(2) Uani 1 1 d . . .
H22A H 0.8163 0.8118 0.5091 0.161 Uiso 1 1 calc R . .
H22B H 0.7946 0.9217 0.5682 0.161 Uiso 1 1 calc R . .
H22C H 0.9151 0.9309 0.5635 0.161 Uiso 1 1 calc R . .
C23 C 0.806(6) 1.022(4) 0.451(4) 0.12(3) Uani 1 1 d . . .
H23A H 0.8617 1.0466 0.4273 0.178 Uiso 1 1 calc R . .
H23B H 0.8369 1.0667 0.5248 0.178 Uiso 1 1 calc R . .
H23C H 0.7337 1.0316 0.4157 0.178 Uiso 1 1 calc R . .
C24 C 0.334(4) 0.911(4) -0.106(4) 0.080(15) Uani 1 1 d . . .
H24A H 0.3414 0.9138 -0.0401 0.120 Uiso 1 1 calc R . .
H24B H 0.2528 0.8758 -0.1562 0.120 Uiso 1 1 calc R . .
H24C H 0.3632 0.9867 -0.0980 0.120 Uiso 1 1 calc R . .
C25 C 0.496(5) 0.499(2) 0.169(2) 0.09(2) Uani 1 1 d . . .
C26 C 0.276(2) 0.468(4) -0.080(2) 0.055(12) Uani 1 1 d . . .
Gd1 Gd 0.55533(10) 0.69006(10) 0.07556(10) 0.0199(3) Uani 1 1 d . . .
N1 N 0.477(3) 0.715(3) 0.502(2) 0.053(8) Uani 1 1 d . . .
N2 N 0.289(3) 0.300(2) 0.324(2) 0.043(7) Uani 1 1 d . . .
N3 N 0.785(3) 0.904(2) 0.428(2) 0.052(7) Uani 1 1 d . . .
N4 N 0.402(2) 0.844(2) -0.1424(19) 0.032(5) Uani 1 1 d . . .
N5 N 0.883(2) 0.921(2) 0.099(2) 0.040(6) Uani 1 1 d . . .
N6 N 0.397(2) 0.924(2) 0.247(2) 0.035(6) Uani 1 1 d . . .
N8 N 0.040(4) 0.717(3) -0.074(4) 0.097(16) Uani 1 1 d . . .
O1 O 0.2277(16) 0.576(2) 0.5584(19) 0.043(6) Uani 1 1 d . . .
O2 O 0.1442(18) 0.634(2) 0.6983(16) 0.047(6) Uani 1 1 d . . .
O3 O 0.0000 0.5000 0.5000 0.027(6) Uani 1 2 d S . .
O4 O 0.077(2) 0.431(2) 0.3616(14) 0.053(7) Uani 1 1 d . . .
O5 O 0.5570(18) 0.6008(17) -0.0875(15) 0.034(5) Uani 1 1 d . . .
O6 O 0.4497(19) 0.7783(19) -0.0227(16) 0.037(5) Uani 1 1 d . . .
O7 O 0.7222(16) 0.6328(18) 0.1121(18) 0.035(5) Uani 1 1 d . . .
O8 O 0.104(2) 0.706(3) 0.551(3) 0.077(11) Uani 1 1 d . . .
O9 O 0.3650(17) 0.5478(18) -0.0306(17) 0.039(5) Uani 1 1 d . . .
O10 O 0.5214(19) 0.5899(17) 0.1673(15) 0.036(5) Uani 1 1 d . . .
O11 O 0.6988(16) 0.8323(17) 0.0716(16) 0.033(4) Uani 1 1 d . . .
O12 O 0.203(3) 0.664(3) 0.408(2) 0.073(9) Uani 1 1 d . . .
O13 O 0.461(3) 0.793(2) 0.170(2) 0.057(7) Uani 1 1 d . . .
O14 O -0.042(2) 0.575(2) 0.355(2) 0.056(7) Uani 1 1 d . . .
O15 O 0.122(2) 0.364(2) 0.5062(17) 0.045(6) Uani 1 1 d . . .
O16 O -0.027(3) 0.200(3) 0.293(3) 0.090(11) Uani 1 1 d . . .
O17 O 0.702(2) 0.8231(19) 0.2554(19) 0.051(6) Uani 1 1 d . . .
O18 O 0.289(2) 0.504(2) 0.717(2) 0.063(8) Uani 1 1 d . . .
O19 O 0.515(3) 0.799(2) 0.495(2) 0.085(11) Uani 1 1 d . . .
O20 O 0.470(2) 0.712(3) 0.5776(18) 0.064(8) Uani 1 1 d . . .
O21 O 0.281(3) 0.307(3) 0.404(2) 0.068(8) Uani 1 1 d . . .
O22 O 0.249(3) 0.212(2) 0.245(2) 0.063(8) Uani 1 1 d . . .
O23 O 0.128(3) 0.797(2) -0.030(3) 0.085(11) Uani 1 1 d . . .
O24 O -0.063(4) 0.725(4) -0.092(4) 0.15(2) Uani 1 1 d . . .
O26 O -0.239(3) 0.324(5) -0.209(4) 0.138(19) Uani 1 1 d . . .
W1 W 0.11649(12) 0.59502(14) 0.44618(12) 0.0454(4) Uani 1 1 d . . .
W2 W -0.01385(13) 0.32693(13) 0.38048(12) 0.0478(4) Uani 1 1 d . . .
W3 W 0.16717(11) 0.50174(13) 0.62558(11) 0.0400(4) Uani 1 1 d . . .
O25 O -0.144(3) 0.215(4) -0.229(7) 0.28(5) Uani 1 1 d . . .
N7 N -0.152(3) 0.314(4) -0.199(4) 0.102(18) 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'
W W -0.8490 6.8722 '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
C2 C1 C5 116(3) . .
C3 C2 C1 123(2) . .
C3 C2 C25 117(2) . .
C1 C2 C25 119(2) . .
C2 C3 C4 117(3) . .
C6 C4 C3 123(3) . .
C6 C4 N1 119(2) . .
C3 C4 N1 118(3) . .
C6 C5 C1 123(3) . .
C6 C5 N2 119(3) . .
C1 C5 N2 118(3) . .
C4 C6 C5 118(3) . .
O6 C7 N4 124(3) . .
C10 C8 C9 121(3) . .
C10 C8 C26 122(3) . .
C9 C8 C26 116(3) . .
C13 C9 C8 117(3) . .
C8 C10 C14 116(4) . .
O11 C11 N5 123(3) . .
O13 C12 N6 127(4) . .
C17 C13 C9 121(3) . .
C17 C13 N8 122(4) . .
C9 C13 N8 117(4) . .
C17 C14 C10 125(3) . .
C17 C14 N7 118(3) . .
C10 C14 N7 116(3) . .
C14 C17 C13 119(3) . .
O17 C20 N3 122(3) . .
O10 C25 O5 126(3) . 2_665
O10 C25 C2 112(3) . .
O5 C25 C2 109(3) 2_665 .
O9 C26 O7 121(3) . 2_665
O9 C26 C8 122(4) . .
O7 C26 C8 116(3) 2_665 .
O10 Gd1 O5 122.1(7) . .
O10 Gd1 O7 79.7(8) . .
O5 Gd1 O7 74.7(8) . .
O10 Gd1 O9 72.1(7) . .
O5 Gd1 O9 76.6(7) . .
O7 Gd1 O9 118.9(7) . .
O10 Gd1 O6 136.9(7) . .
O5 Gd1 O6 77.9(7) . .
O7 Gd1 O6 142.8(7) . .
O9 Gd1 O6 77.6(7) . .
O10 Gd1 O11 145.6(7) . .
O5 Gd1 O11 74.8(7) . .
O7 Gd1 O11 76.6(7) . .
O9 Gd1 O11 141.9(7) . .
O6 Gd1 O11 72.3(7) . .
O10 Gd1 O13 76.6(8) . .
O5 Gd1 O13 146.6(9) . .
O7 Gd1 O13 138.7(9) . .
O9 Gd1 O13 85.0(9) . .
O6 Gd1 O13 70.9(8) . .
O11 Gd1 O13 106.1(8) . .
O10 Gd1 O17 78.6(7) . .
O5 Gd1 O17 136.3(7) . .
O7 Gd1 O17 72.1(8) . .
O9 Gd1 O17 145.4(8) . .
O6 Gd1 O17 114.5(8) . .
O11 Gd1 O17 70.5(7) . .
O13 Gd1 O17 70.3(9) . .
O20 N1 O19 126(3) . .
O20 N1 C4 117(3) . .
O19 N1 C4 117(3) . .
O22 N2 O21 123(3) . .
O22 N2 C5 120(3) . .
O21 N2 C5 117(3) . .
C20 N3 C23 129(4) . .
C20 N3 C22 120(3) . .
C23 N3 C22 111(4) . .
C7 N4 C24 126(3) . .
C7 N4 C15 121(3) . .
C24 N4 C15 112(3) . .
C11 N5 C18 121(3) . .
C11 N5 C21 120(3) . .
C18 N5 C21 119(3) . .
C12 N6 C19 119(3) . .
C12 N6 C16 124(3) . .
C19 N6 C16 117(3) . .
O23 N8 O24 124(4) . .
O23 N8 C13 121(4) . .
O24 N8 C13 115(4) . .
W3 O1 W1 117.8(10) . .
W3 O2 W2 117.7(10) . 2_566
W1 O3 W1 180.0 2_566 .
W1 O3 W2 90.16(7) 2_566 .
W1 O3 W2 89.83(7) . .
W1 O3 W2 89.84(7) 2_566 2_566
W1 O3 W2 90.17(7) . 2_566
W2 O3 W2 180.0 . 2_566
W1 O3 W3 89.97(7) 2_566 2_566
W1 O3 W3 90.03(7) . 2_566
W2 O3 W3 90.15(6) . 2_566
W2 O3 W3 89.85(6) 2_566 2_566
W1 O3 W3 90.03(7) 2_566 .
W1 O3 W3 89.97(7) . .
W2 O3 W3 89.85(6) . .
W2 O3 W3 90.15(6) 2_566 .
W3 O3 W3 180.0 2_566 .
W2 O4 W1 119.9(11) . .
C25 O5 Gd1 138(2) 2_665 .
C7 O6 Gd1 129.5(19) . .
C26 O7 Gd1 127.4(17) 2_665 .
W1 O8 W2 123.2(14) . 2_566
C26 O9 Gd1 172(3) . .
C25 O10 Gd1 147.8(17) . .
C11 O11 Gd1 127(2) . .
C12 O13 Gd1 142(3) . .
W3 O14 W1 117.2(11) 2_566 .
W3 O15 W2 118.9(10) . .
C20 O17 Gd1 132(2) . .
O12 W1 O8 106.4(14) . .
O12 W1 O14 104.4(12) . .
O8 W1 O14 87.1(11) . .
O12 W1 O1 103.6(12) . .
O8 W1 O1 85.5(10) . .
O14 W1 O1 152.0(10) . .
O12 W1 O4 106.1(14) . .
O8 W1 O4 147.5(10) . .
O14 W1 O4 86.2(11) . .
O1 W1 O4 85.6(10) . .
O12 W1 O3 179.3(10) . .
O8 W1 O3 73.7(7) . .
O14 W1 O3 76.3(7) . .
O1 W1 O3 75.7(6) . .
O4 W1 O3 73.8(8) . .
O16 W2 O4 104.5(14) . .
O16 W2 O8 106.1(16) . 2_566
O4 W2 O8 149.4(12) . 2_566
O16 W2 O15 105.1(14) . .
O4 W2 O15 87.0(10) . .
O8 W2 O15 86.4(10) 2_566 .
O16 W2 O2 104.3(15) . 2_566
O4 W2 O2 84.5(10) . 2_566
O8 W2 O2 86.7(10) 2_566 2_566
O15 W2 O2 150.5(9) . 2_566
O16 W2 O3 178.9(11) . .
O4 W2 O3 76.5(6) . .
O8 W2 O3 72.9(10) 2_566 .
O15 W2 O3 75.4(6) . .
O2 W2 O3 75.2(7) 2_566 .
O18 W3 O2 102.7(12) . .
O18 W3 O1 103.2(11) . .
O2 W3 O1 89.6(11) . .
O18 W3 O15 104.5(12) . .
O2 W3 O15 152.6(9) . .
O1 W3 O15 86.6(11) . .
O18 W3 O14 103.7(11) . 2_566
O2 W3 O14 84.5(11) . 2_566
O1 W3 O14 153.0(8) . 2_566
O15 W3 O14 86.7(12) . 2_566
O18 W3 O3 179.5(9) . .
O2 W3 O3 76.9(6) . .
O1 W3 O3 76.5(6) . .
O15 W3 O3 75.9(6) . .
O14 W3 O3 76.5(6) 2_566 .
O26 N7 O25 121(5) . .
O26 N7 C14 122(5) . .
O25 N7 C14 117(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.40(3) .
C1 C5 1.42(4) .
C2 C3 1.38(4) .
C2 C25 1.61(4) .
C3 C4 1.42(3) .
C4 C6 1.35(4) .
C4 N1 1.48(4) .
C5 C6 1.38(4) .
C5 N2 1.47(3) .
C7 O6 1.25(4) .
C7 N4 1.27(4) .
C8 C10 1.37(4) .
C8 C9 1.43(4) .
C8 C26 1.50(4) .
C9 C13 1.41(5) .
C10 C14 1.38(4) .
C11 O11 1.23(3) .
C11 N5 1.36(4) .
C12 O13 1.13(4) .
C12 N6 1.35(4) .
C13 C17 1.35(6) .
C13 N8 1.43(5) .
C14 C17 1.32(5) .
C14 N7 1.49(5) .
C15 N4 1.51(4) .
C16 N6 1.46(4) .
C18 N5 1.44(4) .
C19 N6 1.44(5) .
C20 O17 1.23(4) .
C20 N3 1.30(4) .
C21 N5 1.48(5) .
C22 N3 1.49(5) .
C23 N3 1.44(5) .
C24 N4 1.47(4) .
C25 O10 1.21(3) .
C25 O5 1.31(3) 2_665
C26 O9 1.19(4) .
C26 O7 1.27(5) 2_665
Gd1 O10 2.325(19) .
Gd1 O5 2.364(19) .
Gd1 O7 2.370(18) .
Gd1 O9 2.38(2) .
Gd1 O6 2.42(2) .
Gd1 O11 2.428(17) .
Gd1 O13 2.43(2) .
Gd1 O17 2.46(2) .
N1 O20 1.19(3) .
N1 O19 1.20(4) .
N2 O22 1.21(4) .
N2 O21 1.24(4) .
N8 O23 1.19(5) .
N8 O24 1.29(5) .
O1 W3 1.89(2) .
O1 W1 1.95(2) .
O2 W3 1.88(2) .
O2 W2 1.97(2) 2_566
O3 W1 2.3232(16) 2_566
O3 W1 2.3232(16) .
O3 W2 2.3267(18) .
O3 W2 2.3268(18) 2_566
O3 W3 2.3268(16) 2_566
O3 W3 2.3269(16) .
O4 W2 1.82(3) .
O4 W1 1.98(2) .
O5 C25 1.31(3) 2_665
O7 C26 1.27(5) 2_665
O8 W1 1.85(4) .
O8 W2 1.89(3) 2_566
O12 W1 1.69(3) .
O14 W3 1.92(2) 2_566
O14 W1 1.94(2) .
O15 W3 1.90(2) .
O15 W2 1.92(2) .
O16 W2 1.69(3) .
O18 W3 1.69(2) .
O26 N7 1.12(5) .
W2 O8 1.89(3) 2_566
W2 O2 1.97(2) 2_566
W3 O14 1.92(3) 2_566
O25 N7 1.27(7) .
