#------------------------------------------------------------------------------
#$Date: 2021-05-31 11:41:46 +0300 (Mon, 31 May 2021) $
#$Revision: 265630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/30/1563001.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_1563001
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 Ce2 N16 O32, O19 W6'
_chemical_formula_sum            'C52 H68 Ce2 N16 O51 W6'
_chemical_formula_weight         3116.5
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.624(12)
_cell_angle_beta                 100.984(10)
_cell_angle_gamma                115.959(12)
_cell_formula_units_Z            1
_cell_length_a                   13.2697(13)
_cell_length_b                   13.8499(19)
_cell_length_c                   14.224(2)
_cell_measurement_reflns_used    7709
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.100
_cell_measurement_theta_min      3.0
_cell_volume                     2168.1(6)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0481
_diffrn_reflns_av_sigmaI/netI    0.1364
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14119
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    9.059
_exptl_absorpt_correction_T_max  0.179
_exptl_absorpt_correction_T_min  0.083
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.387
_exptl_crystal_density_meas      2.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.030
_refine_diff_density_min         -3.288
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         7709
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0397
_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)+(0.0009P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0557
_reflns_number_gt                4012
_reflns_number_total             7709
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-190-85.cif
_cod_data_source_block           compound-2
_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               1563001
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 0.7859(13) 0.3583(16) 0.2812(13) 0.062(5) Uani 1 1 d . . .
H1 H 0.7194 0.3568 0.2943 0.074 Uiso 1 1 calc R . .
C2 C 0.4895(10) 0.3040(11) 0.0463(10) 0.041(3) Uani 1 1 d . . .
C3 C 0.5923(11) 0.4073(14) 0.0881(10) 0.049(4) Uani 1 1 d . . .
H3 H 0.6647 0.4117 0.0899 0.059 Uiso 1 1 calc R . .
C4 C 0.3822(12) 0.2993(13) 0.0405(10) 0.056(4) Uani 1 1 d . . .
H4 H 0.3116 0.2300 0.0096 0.067 Uiso 1 1 calc R . .
C5 C 0.7866(12) 0.0100(14) 0.2628(11) 0.061(5) Uani 1 1 d . . .
H5 H 0.7408 -0.0675 0.2244 0.073 Uiso 1 1 calc R . .
C6 C 0.9721(19) 0.115(2) 0.1321(15) 0.144(10) Uani 1 1 d . . .
H6 H 1.0130 0.1945 0.1588 0.173 Uiso 1 1 calc R . .
C7 C 0.3811(15) 0.3970(16) 0.0806(12) 0.062(4) Uani 1 1 d . . .
C8 C 0.4825(19) 0.5004(15) 0.1233(11) 0.072(5) Uani 1 1 d . . .
H8 H 0.4803 0.5669 0.1491 0.086 Uiso 1 1 calc R . .
C9 C 0.5875(16) 0.5038(16) 0.1272(11) 0.059(5) Uani 1 1 d . . .
O15 O 0.8390(8) 0.2647(9) 0.0422(8) 0.073(3) Uani 1 1 d . . .
C11 C 0.3880(11) 0.0532(11) 0.4158(11) 0.042(4) Uani 1 1 d . . .
C12 C 0.3620(10) 0.0171(11) 0.3108(9) 0.042(3) Uani 1 1 d . . .
H12 H 0.2839 -0.0292 0.2677 0.051 Uiso 1 1 calc R . .
C13 C 0.5009(11) 0.1180(11) 0.4825(10) 0.048(4) Uani 1 1 d . . .
H13 H 0.5161 0.1397 0.5526 0.058 Uiso 1 1 calc R . .
C14 C 0.5712(11) 0.1188(11) 0.3384(11) 0.051(4) Uani 1 1 d . . .
H14 H 0.6346 0.1424 0.3133 0.061 Uiso 1 1 calc R . .
C15 C 0.4526(11) 0.0505(11) 0.2721(10) 0.041(3) Uani 1 1 d . . .
C16 C 1.1557(13) 0.1311(16) 0.2063(16) 0.162(10) Uani 1 1 d . . .
H16A H 1.1950 0.1073 0.1643 0.243 Uiso 1 1 calc R . .
H16B H 1.1665 0.1112 0.2666 0.243 Uiso 1 1 calc R . .
H16C H 1.1888 0.2123 0.2253 0.243 Uiso 1 1 calc R . .
C17 C 0.9852(18) -0.048(2) 0.1177(16) 0.150(8) Uani 1 1 d . . .
H17A H 0.9760 -0.0745 0.1742 0.224 Uiso 1 1 calc R . .
H17B H 1.0376 -0.0669 0.0902 0.224 Uiso 1 1 calc R . .
H17C H 0.9093 -0.0843 0.0660 0.224 Uiso 1 1 calc R . .
C18 C 0.9914(12) 0.4602(15) 0.3155(13) 0.106(7) Uani 1 1 d . . .
H18A H 0.9715 0.3920 0.2627 0.160 Uiso 1 1 calc R . .
H18B H 1.0406 0.4665 0.3781 0.160 Uiso 1 1 calc R . .
H18C H 1.0334 0.5256 0.2968 0.160 Uiso 1 1 calc R . .
C19 C 0.9031(13) 0.5563(14) 0.3984(15) 0.124(8) Uani 1 1 d . . .
H19A H 0.8604 0.5859 0.3633 0.187 Uiso 1 1 calc R . .
H19B H 0.9859 0.6125 0.4261 0.187 Uiso 1 1 calc R . .
H19C H 0.8737 0.5385 0.4526 0.187 Uiso 1 1 calc R . .
C20 C 0.9099(12) -0.0403(14) 0.3671(10) 0.075(5) Uani 1 1 d . . .
H20A H 0.9027 -0.0399 0.4331 0.113 Uiso 1 1 calc R . .
H20B H 0.9899 -0.0186 0.3696 0.113 Uiso 1 1 calc R . .
H20C H 0.8569 -0.1155 0.3181 0.113 Uiso 1 1 calc R . .
C21 C 0.9532(12) 0.1571(14) 0.4018(12) 0.096(6) Uani 1 1 d . . .
H21A H 1.0342 0.1818 0.4057 0.143 Uiso 1 1 calc R . .
H21B H 0.9468 0.1653 0.4688 0.143 Uiso 1 1 calc R . .
H21C H 0.9280 0.2030 0.3737 0.143 Uiso 1 1 calc R . .
C24 C 0.4919(12) 0.1936(13) 0.0069(10) 0.049(4) Uani 1 1 d . . .
C25 C 0.5891(11) 0.1492(12) 0.4421(10) 0.045(4) Uani 1 1 d . . .
C26 C 0.4251(13) 0.0155(13) 0.1576(10) 0.053(4) Uani 1 1 d . . .
Ce1 Ce 0.69014(6) 0.10253(7) 0.07638(6) 0.0390(2) Uani 1 1 d . . .
N1 N 0.7066(18) 0.6242(15) 0.1756(10) 0.048(10) Uani 1 1 d . . .
N2 N 0.2892(11) 0.0163(12) 0.4585(12) 0.064(4) Uani 1 1 d . . .
N3 N 0.7152(10) 0.2245(10) 0.5103(10) 0.058(3) Uani 1 1 d . . .
N4 N 0.8869(10) 0.4551(11) 0.3286(9) 0.057(3) Uani 1 1 d . . .
N5 N 1.0352(9) 0.0766(13) 0.1524(9) 0.064(4) Uani 1 1 d . . .
N6 N 0.8799(9) 0.0400(10) 0.3379(8) 0.045(3) Uani 1 1 d . . .
N8 N 0.2669(15) 0.3904(17) 0.0741(12) 0.087(5) Uani 1 1 d . . .
O1 O 0.5118(7) 0.7202(8) 0.7438(7) 0.064(3) Uani 1 1 d . . .
O2 O 0.3873(6) 0.4803(7) 0.6349(6) 0.043(2) Uani 1 1 d . . .
O3 O 0.3895(7) 0.6162(7) 0.5308(6) 0.047(2) Uani 1 1 d . . .
O4 O 0.2676(6) 0.3935(7) 0.4394(6) 0.045(2) Uani 1 1 d . . .
O6 O 0.3780(6) 0.4120(7) 0.3025(6) 0.045(2) Uani 1 1 d . . .
O7 O 0.5024(6) 0.6388(7) 0.3960(6) 0.050(2) Uani 1 1 d . . .
O8 O 0.6212(7) 0.7239(7) 0.5909(6) 0.046(2) Uani 1 1 d . . .
O9 O 0.7549(7) 0.7630(8) 0.4552(7) 0.072(3) Uani 1 1 d . . .
O10 O 0.6077(7) -0.1037(8) 0.0345(7) 0.054(3) Uani 1 1 d . . .
O11 O 0.8687(8) 0.0770(10) 0.0857(8) 0.085(4) Uani 1 1 d . . .
O12 O 0.7702(9) 0.2738(9) 0.2242(8) 0.078(4) Uani 1 1 d . . .
O13 O 0.7531(8) 0.0711(9) 0.2375(7) 0.068(3) Uani 1 1 d . . .
O14 O 0.5905(7) 0.2024(8) 0.0182(7) 0.060(3) Uani 1 1 d . . .
O18 O 0.1801(11) 0.2973(13) 0.0474(13) 0.124(6) Uani 1 1 d . . .
O19 O 0.2665(12) 0.4793(13) 0.0937(11) 0.132(5) Uani 1 1 d . . .
O20 O 0.1891(9) -0.0258(9) 0.3975(8) 0.085(4) Uani 1 1 d . . .
O21 O 0.3121(10) 0.0304(11) 0.5478(9) 0.097(4) Uani 1 1 d . . .
O22 O 0.7332(9) 0.2248(10) 0.5979(8) 0.091(4) Uani 1 1 d . . .
O23 O 0.7892(8) 0.2719(10) 0.4741(8) 0.083(4) Uani 1 1 d . . .
O24 O 0.5108(7) 0.0416(8) 0.1227(6) 0.053(3) Uani 1 1 d . . .
O25 O 0.5000 0.5000 0.5000 0.038(3) Uani 1 2 d S . .
O26 O 0.3191(7) -0.0407(8) 0.1048(6) 0.062(3) Uani 1 1 d . . .
W1 W 0.35604(4) 0.51863(5) 0.39627(4) 0.04467(18) Uani 1 1 d . . .
W2 W 0.50691(5) 0.62640(5) 0.64039(4) 0.04428(17) Uani 1 1 d . . .
W3 W 0.64691(4) 0.65119(5) 0.47298(4) 0.04649(18) Uani 1 1 d . . .
C10 C 0.8980(18) 0.2833(18) -0.0131(17) 0.112(7) Uani 1 1 d . . .
H10 H 0.9633 0.2731 0.0022 0.134 Uiso 1 1 calc R . .
N7 N 0.8832(11) 0.3156(14) -0.0912(12) 0.101(6) Uani 1 1 d . . .
O5 O 0.2505(7) 0.5312(9) 0.3210(7) 0.069(3) Uani 1 1 d . . .
C23 C 0.965(2) 0.330(2) -0.1487(18) 0.241(12) Uani 1 1 d . . .
H23A H 1.0252 0.3158 -0.1173 0.361 Uiso 1 1 calc R . .
H23B H 1.0010 0.4069 -0.1495 0.361 Uiso 1 1 calc R . .
H23C H 0.9226 0.2774 -0.2173 0.361 Uiso 1 1 calc R . .
C22 C 0.7846(18) 0.3160(18) -0.1334(15) 0.181(8) Uani 1 1 d . . .
H22A H 0.7342 0.2480 -0.1920 0.271 Uiso 1 1 calc R . .
H22B H 0.8050 0.3819 -0.1539 0.271 Uiso 1 1 calc R . .
H22C H 0.7438 0.3183 -0.0848 0.271 Uiso 1 1 calc R . .
O16 O 0.6813(8) 0.6985(9) 0.2011(8) 0.088(3) Uani 1 1 d . . .
O17 O 0.7949(8) 0.6132(9) 0.1876(8) 0.088(3) 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'
Ce Ce -0.2486 2.6331 '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
O12 C1 N4 127.6(15) . .
C3 C2 C4 119.6(13) . .
C3 C2 C24 120.8(12) . .
C4 C2 C24 119.5(12) . .
C2 C3 C9 119.3(13) . .
C7 C4 C2 119.3(14) . .
O13 C5 N6 127.3(16) . .
O11 C6 N5 136(3) . .
C4 C7 C8 121.8(15) . .
C4 C7 N8 118.5(16) . .
C8 C7 N8 119.7(18) . .
C9 C8 C7 118.2(16) . .
C8 C9 C3 121.7(16) . .
C8 C9 N1 118.8(18) . .
C3 C9 N1 119.5(16) . .
C10 O15 Ce1 140.5(13) . .
C13 C11 C12 123.1(12) . .
C13 C11 N2 117.9(13) . .
C12 C11 N2 119.0(12) . .
C15 C12 C11 118.8(12) . .
C25 C13 C11 116.8(12) . .
C25 C14 C15 117.3(12) . .
C12 C15 C14 120.1(12) . .
C12 C15 C26 119.3(12) . .
C14 C15 C26 120.6(12) . .
O14 C24 O10 127.4(14) . 2_655
O14 C24 C2 116.7(12) . .
O10 C24 C2 115.9(11) 2_655 .
C13 C25 C14 123.9(12) . .
C13 C25 N3 120.0(13) . .
C14 C25 N3 116.1(12) . .
O26 C26 O24 124.8(12) . .
O26 C26 C15 116.8(11) . .
O24 C26 C15 118.4(12) . .
O24 Ce1 O12 84.3(3) . .
O24 Ce1 O10 76.2(3) . .
O12 Ce1 O10 139.7(3) . .
O24 Ce1 O14 72.2(3) . .
O12 Ce1 O14 76.9(3) . .
O10 Ce1 O14 127.5(3) . .
O24 Ce1 O15 141.8(3) . .
O12 Ce1 O15 72.3(4) . .
O10 Ce1 O15 139.8(3) . .
O14 Ce1 O15 73.4(3) . .
O24 Ce1 O13 78.9(3) . .
O12 Ce1 O13 68.5(4) . .
O10 Ce1 O13 73.3(3) . .
O14 Ce1 O13 136.5(3) . .
O15 Ce1 O13 117.5(3) . .
O24 Ce1 O26 121.1(3) . 2_655
O12 Ce1 O26 141.5(3) . 2_655
O10 Ce1 O26 77.9(3) . 2_655
O14 Ce1 O26 84.0(3) . 2_655
O15 Ce1 O26 70.3(3) . 2_655
O13 Ce1 O26 139.4(3) . 2_655
O24 Ce1 O11 143.1(3) . .
O12 Ce1 O11 101.5(3) . .
O10 Ce1 O11 76.3(3) . .
O14 Ce1 O11 144.7(3) . .
O15 Ce1 O11 72.7(3) . .
O13 Ce1 O11 70.0(3) . .
O26 Ce1 O11 75.9(3) 2_655 .
O17 N1 O16 139.1(17) . .
O17 N1 C9 111.6(19) . .
O16 N1 C9 108(2) . .
O21 N2 O20 125.5(12) . .
O21 N2 C11 118.6(13) . .
O20 N2 C11 115.9(12) . .
O23 N3 O22 126.1(13) . .
O23 N3 C25 118.6(12) . .
O22 N3 C25 115.0(13) . .
C1 N4 C18 118.5(13) . .
C1 N4 C19 126.1(13) . .
C18 N4 C19 115.3(12) . .
C6 N5 C16 131(2) . .
C6 N5 C17 119.4(18) . .
C16 N5 C17 109.9(14) . .
C5 N6 C21 119.6(12) . .
C5 N6 C20 123.7(13) . .
C21 N6 C20 116.5(12) . .
O19 N8 O18 124.7(17) . .
O19 N8 C7 116.9(18) . .
O18 N8 C7 118.3(17) . .
W3 O2 W2 117.1(4) 2_666 .
W2 O3 W1 117.4(4) . .
W3 O4 W1 118.4(3) 2_666 .
W2 O6 W1 116.5(4) 2_666 .
W3 O7 W1 116.5(4) . .
W2 O8 W3 117.0(4) . .
C24 O10 Ce1 138.3(8) 2_655 .
C6 O11 Ce1 145.4(13) . .
C1 O12 Ce1 163.1(12) . .
C5 O13 Ce1 136.5(9) . .
C24 O14 Ce1 136.4(8) . .
C26 O24 Ce1 173.3(9) . .
W2 O25 W2 180.00(3) 2_666 .
W2 O25 W3 89.97(3) 2_666 .
W2 O25 W3 90.03(3) . .
W2 O25 W3 90.03(3) 2_666 2_666
W2 O25 W3 89.97(3) . 2_666
W3 O25 W3 180.0 . 2_666
W2 O25 W1 90.13(2) 2_666 2_666
W2 O25 W1 89.87(2) . 2_666
W3 O25 W1 90.20(2) . 2_666
W3 O25 W1 89.80(2) 2_666 2_666
W2 O25 W1 89.87(2) 2_666 .
W2 O25 W1 90.13(2) . .
W3 O25 W1 89.80(2) . .
W3 O25 W1 90.20(2) 2_666 .
W1 O25 W1 180.0 2_666 .
C26 O26 Ce1 107.3(8) . 2_655
O5 W1 O4 104.1(4) . .
O5 W1 O3 104.1(4) . .
O4 W1 O3 86.0(3) . .
O5 W1 O6 103.4(4) . .
O4 W1 O6 86.6(3) . .
O3 W1 O6 152.4(3) . .
O5 W1 O7 103.7(4) . .
O4 W1 O7 152.3(3) . .
O3 W1 O7 86.5(3) . .
O6 W1 O7 87.9(3) . .
O5 W1 O25 179.5(3) . .
O4 W1 O25 75.45(19) . .
O3 W1 O25 75.9(2) . .
O6 W1 O25 76.6(2) . .
O7 W1 O25 76.8(2) . .
O1 W2 O3 103.1(4) . .
O1 W2 O8 103.0(4) . .
O3 W2 O8 86.3(3) . .
O1 W2 O6 103.2(4) . 2_666
O3 W2 O6 153.7(3) . 2_666
O8 W2 O6 88.0(3) . 2_666
O1 W2 O2 103.6(4) . .
O3 W2 O2 86.6(3) . .
O8 W2 O2 153.4(3) . .
O6 W2 O2 87.0(3) 2_666 .
O1 W2 O25 179.7(3) . .
O3 W2 O25 76.6(2) . .
O8 W2 O25 76.8(3) . .
O6 W2 O25 77.1(2) 2_666 .
O2 W2 O25 76.6(2) . .
O9 W3 O4 103.8(4) . 2_666
O9 W3 O2 104.5(4) . 2_666
O4 W3 O2 86.7(3) 2_666 2_666
O9 W3 O8 103.1(4) . .
O4 W3 O8 87.5(3) 2_666 .
O2 W3 O8 152.4(3) 2_666 .
O9 W3 O7 103.4(4) . .
O4 W3 O7 152.8(3) 2_666 .
O2 W3 O7 87.7(3) 2_666 .
O8 W3 O7 85.2(3) . .
O9 W3 O25 179.1(3) . .
O4 W3 O25 75.9(2) 2_666 .
O2 W3 O25 76.3(2) 2_666 .
O8 W3 O25 76.1(2) . .
O7 W3 O25 76.9(2) . .
O15 C10 N7 128.8(19) . .
C10 N7 C22 123.1(16) . .
C10 N7 C23 119.2(17) . .
C22 N7 C23 116.5(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O12 1.174(17) .
C1 N4 1.317(16) .
C2 C3 1.368(16) .
C2 C4 1.383(15) .
C2 C24 1.525(17) .
C3 C9 1.365(19) .
C4 C7 1.357(18) .
C5 O13 1.202(15) .
C5 N6 1.303(14) .
C6 O11 1.211(19) .
C6 N5 1.197(17) .
C7 C8 1.36(2) .
C7 N8 1.460(18) .
C8 C9 1.363(19) .
C9 N1 1.59(2) .
O15 C10 1.20(2) .
O15 Ce1 2.478(10) .
C11 C13 1.364(15) .
C11 C12 1.388(15) .
C11 N2 1.483(15) .
C12 C15 1.356(15) .
C13 C25 1.346(15) .
C14 C25 1.385(16) .
C14 C15 1.415(15) .
C15 C26 1.514(16) .
C16 N5 1.392(16) .
C17 N5 1.47(2) .
C18 N4 1.408(14) .
C19 N4 1.430(16) .
C20 N6 1.446(14) .
C21 N6 1.429(16) .
C24 O14 1.235(13) .
C24 O10 1.259(14) 2_655
C25 N3 1.497(15) .
C26 O26 1.238(14) .
C26 O24 1.267(13) .
Ce1 O24 2.427(8) .
Ce1 O12 2.436(11) .
Ce1 O10 2.446(9) .
Ce1 O14 2.455(8) .
Ce1 O13 2.483(9) .
Ce1 O26 2.493(8) 2_655
Ce1 O11 2.529(9) .
N1 O17 1.23(2) .
N1 O16 1.22(2) .
N2 O21 1.199(13) .
N2 O20 1.232(13) .
N3 O23 1.199(13) .
N3 O22 1.222(13) .
N8 O19 1.205(17) .
N8 O18 1.205(18) .
O1 W2 1.706(8) .
O2 W3 1.915(8) 2_666
O2 W2 1.922(8) .
O3 W2 1.914(7) .
O3 W1 1.926(8) .
O4 W3 1.907(7) 2_666
O4 W1 1.927(8) .
O6 W2 1.925(7) 2_666
O6 W1 1.925(8) .
O7 W3 1.932(7) .
O7 W1 1.928(8) .
O8 W2 1.910(8) .
O8 W3 1.930(8) .
O9 W3 1.697(9) .
O10 C24 1.259(14) 2_655
O25 W2 2.3070(7) 2_666
O25 W2 2.3070(7) .
O25 W3 2.3230(7) .
O25 W3 2.3231(7) 2_666
O25 W1 2.3273(5) 2_666
O25 W1 2.3273(5) .
O26 Ce1 2.493(8) 2_655
W1 O5 1.691(7) .
W2 O6 1.925(7) 2_666
W3 O4 1.907(7) 2_666
W3 O2 1.915(8) 2_666
C10 N7 1.30(2) .
N7 C22 1.335(17) .
N7 C23 1.45(2) .
