#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:42:28 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233870 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/60/7236045.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_7236045
loop_
_publ_author_name
'Wang, Xiaoqing'
'Zhang, Liangliang'
'Yang, Jie'
'Liu, Fuling'
'Dai, Fangna'
'Wang, Rongming'
'Sun, Daofeng'
_publ_section_title
;
 Lanthanide metal--organic frameworks containing a novel flexible ligand
 for luminescence sensing of small organic molecules and selective
 adsorption
;
_journal_issue                   24
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              12777
_journal_paper_doi               10.1039/C5TA00061K
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C38 H38 Ce N O8'
_chemical_formula_sum            'C38 H38 Ce N O8'
_chemical_formula_weight         776.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-09-03
_audit_creation_method
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_audit_update_record
;
2014-11-25 deposited with the CCDC.
2015-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.221(3)
_cell_angle_beta                 93.857(3)
_cell_angle_gamma                113.891(3)
_cell_formula_units_Z            2
_cell_length_a                   9.8401(3)
_cell_length_b                   10.0517(3)
_cell_length_c                   18.0642(6)
_cell_measurement_temperature    295
_cell_volume                     1628.99(10)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -8.00   21.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  -57.0000   60.0000 29

#__ type_ start__ end____ width___ exp.time_
  2 omega  -55.00  -29.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  -57.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega   37.00   65.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   77.0000 -150.0000 28

#__ type_ start__ end____ width___ exp.time_
  4 omega  -32.00   28.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   77.0000 -150.0000 60

#__ type_ start__ end____ width___ exp.time_
  5 omega    6.00  113.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   19.0000  -90.0000 107

#__ type_ start__ end____ width___ exp.time_
  6 omega  -15.00   72.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -57.0000  -30.0000 87

#__ type_ start__ end____ width___ exp.time_
  7 omega  -12.00   78.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -77.0000   90.0000 90

#__ type_ start__ end____ width___ exp.time_
  8 omega    9.00   49.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -57.0000 -180.0000 40

#__ type_ start__ end____ width___ exp.time_
  9 omega   75.00  121.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   57.0000  120.0000 46

#__ type_ start__ end____ width___ exp.time_
 10 omega   72.00   98.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   57.0000  -90.0000 26

#__ type_ start__ end____ width___ exp.time_
 11 omega   25.00  100.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000 -125.0000  -30.0000 75

#__ type_ start__ end____ width___ exp.time_
 12 omega   75.00  126.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -91.0000  -90.0000 51

#__ type_ start__ end____ width___ exp.time_
 13 omega   40.00   92.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000   30.0000 52

#__ type_ start__ end____ width___ exp.time_
 14 omega   39.00  110.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000    0.0000 71

#__ type_ start__ end____ width___ exp.time_
 15 omega   47.00  115.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000 -150.0000 68

#__ type_ start__ end____ width___ exp.time_
 16 omega   52.00  103.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000   60.0000 51

#__ type_ start__ end____ width___ exp.time_
 17 omega  137.00  178.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000 -120.0000 41

#__ type_ start__ end____ width___ exp.time_
 18 omega  106.00  132.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  111.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
 19 omega   37.00   90.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000   90.0000 53

#__ type_ start__ end____ width___ exp.time_
 20 omega   60.00   97.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000  -60.0000 37

#__ type_ start__ end____ width___ exp.time_
 21 omega   45.00  124.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -63.0000 -180.0000 79

#__ type_ start__ end____ width___ exp.time_
 22 omega   37.00   92.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  -30.0000 55

#__ type_ start__ end____ width___ exp.time_
 23 omega   35.00   88.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  -90.0000 53

#__ type_ start__ end____ width___ exp.time_
 24 omega   37.00   92.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -150.0000 55

#__ type_ start__ end____ width___ exp.time_
 25 omega   34.00   93.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  150.0000 59

#__ type_ start__ end____ width___ exp.time_
 26 omega   66.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  150.0000 38

#__ type_ start__ end____ width___ exp.time_
 27 omega   64.00   93.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   90.0000 29

#__ type_ start__ end____ width___ exp.time_
 28 omega   70.00  114.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
 29 omega   52.00   98.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000    0.0000 46

#__ type_ start__ end____ width___ exp.time_
 30 omega   36.00   63.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
 31 omega  -62.00   -6.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  131.0000  -27.0000 56

#__ type_ start__ end____ width___ exp.time_
 32 omega  -22.00   69.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   57.0000 -180.0000 91
;
_diffrn_orient_matrix_UB_11      -0.1481453000
_diffrn_orient_matrix_UB_12      -0.1105796000
_diffrn_orient_matrix_UB_13      -0.0377409000
_diffrn_orient_matrix_UB_21      -0.0557855000
_diffrn_orient_matrix_UB_22      -0.0527036000
_diffrn_orient_matrix_UB_23      0.0766851000
_diffrn_orient_matrix_UB_31      -0.0665427000
_diffrn_orient_matrix_UB_32      0.1145670000
_diffrn_orient_matrix_UB_33      0.0031184000
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11011
_diffrn_reflns_theta_full        67.06
_diffrn_reflns_theta_max         67.06
_diffrn_reflns_theta_min         4.81
_exptl_absorpt_coefficient_mu    11.264
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             790
_refine_diff_density_max         3.410
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         5791
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0581P)²+3.7750P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1026
_reflns_number_gt                5636
_reflns_number_total             5791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ta00061k2.cif
_cod_data_source_block           wxq-2336
_cod_original_cell_volume        1628.99(9)
_cod_database_code               7236045
_chemical_oxdiff_formula         'C H O Ce'
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O1W(H1Wa,H1Wb)
2.b Secondary CH2 refined with riding coordinates:
 C28(H28a,H28b), C27(H27a,H27b), C17(H17a,H17b), C29(H29a,H29b), C8(H8a,H8b)
2.c Aromatic/amide H refined with riding coordinates:
 C36(H36), C34(H34), C7(H7), C33(H33), C23(H23), C37(H37), C19(H19), C22(H22),
 C3(H3), C6(H6), C20(H20), C4(H4)
2.d Idealised Me refined as rotating group:
 C25(H25a,H25b,H25c), C11(H11a,H11b,H11c), C13(H13a,H13b,H13c), C16(H16a,H16b,
 H16c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_refinement_flags_posn
Ce1 Ce 1.50731(2) 0.27658(2) 1.496377(10) 0.01819(10) Uani 1 d .
O5 O 0.5737(4) 0.1618(4) 0.60313(18) 0.0361(8) Uani 1 d .
O6 O 1.4364(4) 0.4125(4) 0.58596(17) 0.0329(7) Uani 1 d .
O1W O 1.7409(5) 0.2267(5) 1.4698(2) 0.0512(10) Uani 1 d .
H1WA H 1.8381 0.2941 1.4755 0.077 Uiso 1 d GR
H1WB H 1.7387 0.1393 1.4533 0.077 Uiso 1 d GR
O4 O 0.5581(4) -0.0609(4) 0.58213(17) 0.0383(8) Uani 1 d .
O7 O 1.3848(4) 0.5993(4) 0.61815(17) 0.0325(7) Uani 1 d .
O2 O 1.3024(4) 0.3095(3) 1.42133(17) 0.0294(7) Uani 1 d .
O3 O 1.2679(3) 0.5090(3) 1.45344(16) 0.0285(7) Uani 1 d .
O1 O 1.2690(4) 0.0859(4) 1.5464(2) 0.0411(8) Uani 1 d .
N1 N 1.1077(5) 0.0249(5) 1.6375(3) 0.0433(11) Uani 1 d .
C25 C 1.1646(9) -0.0699(8) 1.6765(4) 0.0630(18) Uani 1 d .
H25A H 1.1777 -0.0459 1.7288 0.095 Uiso 1 calc GR
H25B H 1.2587 -0.0571 1.6587 0.095 Uiso 1 calc GR
H25C H 1.0952 -0.1693 1.6680 0.095 Uiso 1 calc GR
C28 C 0.9725(9) 0.1654(11) 1.6135(4) 0.077(2) Uani 1 d .
H28A H 1.0002 0.2541 1.6434 0.093 Uiso 1 calc R
H28B H 0.8722 0.1383 1.5910 0.093 Uiso 1 calc R
C38 C 1.3999(5) 0.4839(5) 0.6327(2) 0.0251(9) Uani 1 d .
C27 C 1.0798(6) 0.1878(6) 1.5546(3) 0.0413(12) Uani 1 d .
H27A H 1.1471 0.2896 1.5529 0.050 Uiso 1 calc R
H27B H 1.0270 0.1555 1.5062 0.050 Uiso 1 calc R
C14 C 0.8802(6) 0.1250(5) 0.9654(2) 0.0314(10) Uani 1 d .
C17 C 0.7350(6) 0.0010(6) 0.9364(3) 0.0398(12) Uani 1 d .
H17A H 0.7469 -0.0898 0.9410 0.048 Uiso 1 calc R
H17B H 0.6572 -0.0031 0.9678 0.048 Uiso 1 calc R
C5 C 1.0775(5) 0.4228(5) 1.1854(2) 0.0301(10) Uani 1 d .
C36 C 1.3176(6) 0.4914(6) 0.7599(3) 0.0365(11) Uani 1 d .
H36 H 1.2976 0.5714 0.7466 0.044 Uiso 1 calc R
C2 C 1.1904(5) 0.4095(5) 1.3310(2) 0.0254(9) Uani 1 d .
C34 C 1.4075(6) 0.3120(6) 0.7312(3) 0.0374(11) Uani 1 d .
H34 H 1.4474 0.2690 0.6982 0.045 Uiso 1 calc R
C24 C 0.5758(5) 0.0435(5) 0.6239(2) 0.0224(8) Uani 1 d .
C7 C 1.2139(5) 0.3321(5) 1.2732(3) 0.0307(10) Uani 1 d .
H7 H 1.2666 0.2745 1.2826 0.037 Uiso 1 calc R
C33 C 1.3823(7) 0.2600(6) 0.8020(3) 0.0420(13) Uani 1 d .
H33 H 1.4076 0.1837 0.8162 0.050 Uiso 1 calc R
C23 C 0.7147(7) 0.1457(6) 0.8246(3) 0.0408(12) Uani 1 d .
H23 H 0.7628 0.2306 0.8537 0.049 Uiso 1 calc R
C32 C 1.3198(5) 0.3195(6) 0.8522(3) 0.0330(10) Uani 1 d .
C35 C 1.3739(5) 0.4276(5) 0.7093(2) 0.0256(9) Uani 1 d .
C37 C 1.2904(7) 0.4375(6) 0.8304(3) 0.0414(13) Uani 1 d .
H37 H 1.2518 0.4815 0.8636 0.050 Uiso 1 calc R
C21 C 0.6052(5) 0.0308(5) 0.7059(2) 0.0238(9) Uani 1 d .
C19 C 0.6072(6) -0.1115(5) 0.8123(3) 0.0347(11) Uani 1 d .
H19 H 0.5803 -0.2021 0.8333 0.042 Uiso 1 calc R
C29 C 0.9800(9) 0.0486(9) 1.6594(4) 0.070(2) Uani 1 d .
H29A H 0.9925 0.0770 1.7116 0.084 Uiso 1 calc R
H29B H 0.8895 -0.0394 1.6507 0.084 Uiso 1 calc R
C18 C 0.6838(5) 0.0125(5) 0.8562(2) 0.0311(10) Uani 1 d .
C11 C 1.2985(7) 0.4767(7) 1.0396(4) 0.0558(16) Uani 1 d .
H11A H 1.3605 0.4396 1.0682 0.084 Uiso 1 calc GR
H11B H 1.2804 0.5463 1.0694 0.084 Uiso 1 calc GR
H11C H 1.3477 0.5230 0.9967 0.084 Uiso 1 calc GR
C26 C 1.1638(5) 0.0961(6) 1.5779(3) 0.0356(11) Uani 1 d .
C15 C 1.0122(6) 0.1402(5) 0.9347(2) 0.0319(10) Uani 1 d .
C31 C 1.2908(6) 0.2594(7) 0.9290(3) 0.0401(12) Uani 1 d .
H31A H 1.377(7) 0.316(7) 0.960(4) 0.048 Uiso 1 d R
C22 C 0.6753(6) 0.1550(5) 0.7505(3) 0.0352(11) Uani 1 d .
H22 H 0.6962 0.2458 0.7306 0.042 Uiso 1 calc R
C3 C 1.1068(6) 0.4902(6) 1.3158(3) 0.0342(11) Uani 1 d .
H3 H 1.0884 0.5412 1.3541 0.041 Uiso 1 calc R
C30 C 1.1474(6) 0.2519(5) 0.9598(2) 0.0315(10) Uani 1 d .
C6 C 1.1588(6) 0.3402(5) 1.2012(3) 0.0342(11) Uani 1 d .
H6 H 1.1769 0.2891 1.1629 0.041 Uiso 1 calc R
C20 C 0.5691(5) -0.1041(5) 0.7372(3) 0.0307(10) Uani 1 d .
H20 H 0.5197 -0.1890 0.7082 0.037 Uiso 1 calc R
C13 C 0.7455(7) 0.1947(8) 1.0632(4) 0.0579(16) Uani 1 d .
H13A H 0.6853 0.2343 1.0349 0.087 Uiso 1 calc GR
H13B H 0.7736 0.2420 1.1115 0.087 Uiso 1 calc GR
H13C H 0.6896 0.0922 1.0682 0.087 Uiso 1 calc GR
C12 C 0.8849(6) 0.2196(6) 1.0234(2) 0.0314(10) Uani 1 d .
C8 C 1.0237(7) 0.4428(6) 1.1067(3) 0.0398(12) Uani 1 d .
H8A H 0.9239 0.4390 1.1081 0.048 Uiso 1 calc R
H8B H 1.0873 0.5396 1.0920 0.048 Uiso 1 calc R
C1 C 1.2585(4) 0.4086(5) 1.4078(2) 0.0237(9) Uani 1 d .
C4 C 1.0507(6) 0.4954(6) 1.2444(3) 0.0349(11) Uani 1 d .
H4 H 0.9935 0.5489 1.2356 0.042 Uiso 1 calc R
C9 C 1.0201(6) 0.3354(5) 1.0470(2) 0.0313(10) Uani 1 d .
C16 C 1.0081(7) 0.0330(6) 0.8749(3) 0.0466(13) Uani 1 d .
H16A H 1.0519 -0.0301 0.8950 0.070 Uiso 1 calc GR
H16B H 1.0632 0.0848 0.8347 0.070 Uiso 1 calc GR
H16C H 0.9066 -0.0240 0.8571 0.070 Uiso 1 calc GR
C10 C 1.1511(6) 0.3521(5) 1.0150(2) 0.0330(10) Uani 1 d .
H31B H 1.293(6) 0.164(7) 0.927(3) 0.040 Uiso 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 0.0181 0.0091 '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'
Ce Ce -1.8482 9.6596 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O5 Ce1 O1W 70.90(13) 1_656 .
O5 Ce1 O7 139.80(12) 1_656 2_867
O5 Ce1 O2 146.09(12) 1_656 .
O5 Ce1 O3 82.13(11) 1_656 2_868
O5 Ce1 O1 70.30(13) 1_656 .
O6 Ce1 O5 85.94(12) 1_556 1_656
O6 Ce1 O1W 138.42(13) 1_556 .
O6 Ce1 O7 117.92(11) 1_556 2_867
O6 Ce1 O2 80.11(11) 1_556 .
O6 Ce1 O3 70.32(11) 1_556 2_868
O6 Ce1 O1 75.72(12) 1_556 .
O4 Ce1 O5 92.20(11) 2_757 1_656
O4 Ce1 O6 149.25(13) 2_757 1_556
O4 Ce1 O1W 68.04(13) 2_757 .
O4 Ce1 O7 82.33(11) 2_757 2_867
O4 Ce1 O2 84.68(11) 2_757 .
O4 Ce1 O3 139.85(12) 2_757 2_868
O4 Ce1 O1 74.79(13) 2_757 .
O7 Ce1 O1W 70.15(13) 2_867 .
O7 Ce1 O3 77.22(11) 2_867 2_868
O7 Ce1 O1 143.34(12) 2_867 .
O2 Ce1 O1W 136.56(12) . .
O2 Ce1 O7 73.32(11) . 2_867
O2 Ce1 O3 120.82(11) . 2_868
O2 Ce1 O1 76.34(12) . .
O3 Ce1 O1W 72.60(12) 2_868 .
O3 Ce1 O1 137.34(11) 2_868 .
O1 Ce1 O1W 124.01(13) . .
C24 O5 Ce1 142.4(3) . 1_454
C38 O6 Ce1 179.7(3) . 1_554
C24 O4 Ce1 173.2(3) . 2_757
C38 O7 Ce1 117.0(3) . 2_867
C1 O2 Ce1 138.5(3) . .
C1 O3 Ce1 129.2(3) . 2_868
C26 O1 Ce1 132.8(3) . .
C29 N1 C25 123.1(5) . .
C26 N1 C25 124.1(5) . .
C26 N1 C29 112.9(5) . .
C29 C28 C27 106.7(6) . .
O6 C38 C35 118.1(4) . .
O7 C38 O6 123.4(4) . .
O7 C38 C35 118.5(4) . .
C28 C27 C26 104.3(5) . .
C15 C14 C17 118.6(5) . .
C12 C14 C17 121.7(5) . .
C12 C14 C15 119.7(4) . .
C18 C17 C14 115.1(4) . .
C6 C5 C8 123.2(4) . .
C6 C5 C4 117.4(4) . .
C4 C5 C8 119.3(4) . .
C35 C36 C37 120.6(5) . .
C7 C2 C3 118.6(4) . .
C7 C2 C1 120.1(4) . .
C3 C2 C1 121.2(4) . .
C33 C34 C35 120.5(5) . .
O5 C24 C21 116.8(4) . .
O4 C24 O5 124.9(4) . .
O4 C24 C21 118.3(4) . .
C2 C7 C6 120.2(4) . .
C34 C33 C32 121.3(5) . .
C18 C23 C22 121.2(5) . .
C33 C32 C31 120.5(5) . .
C37 C32 C33 117.7(4) . .
C37 C32 C31 121.8(5) . .
C36 C35 C38 120.5(4) . .
C36 C35 C34 118.6(4) . .
C34 C35 C38 120.8(4) . .
C32 C37 C36 121.2(5) . .
C22 C21 C24 119.8(4) . .
C22 C21 C20 119.1(4) . .
C20 C21 C24 121.1(4) . .
C18 C19 C20 121.5(4) . .
N1 C29 C28 105.9(5) . .
C23 C18 C17 121.7(4) . .
C19 C18 C17 120.3(4) . .
C19 C18 C23 118.0(4) . .
O1 C26 N1 124.3(5) . .
O1 C26 C27 126.7(5) . .
N1 C26 C27 109.0(5) . .
C14 C15 C16 119.6(5) . .
C30 C15 C14 120.4(4) . .
C30 C15 C16 119.9(5) . .
C32 C31 C30 116.0(4) . .
C21 C22 C23 120.5(4) . .
C4 C3 C2 120.7(4) . .
C15 C30 C31 119.2(5) . .
C15 C30 C10 120.0(5) . .
C10 C30 C31 120.8(5) . .
C5 C6 C7 121.5(4) . .
C21 C20 C19 119.6(4) . .
C14 C12 C13 120.4(5) . .
C14 C12 C9 120.0(5) . .
C9 C12 C13 119.6(5) . .
C9 C8 C5 117.4(4) . .
O2 C1 O3 125.5(4) . .
O2 C1 C2 117.3(4) . .
O3 C1 C2 117.2(4) . .
C3 C4 C5 121.6(4) . .
C12 C9 C8 120.0(5) . .
C10 C9 C12 120.1(4) . .
C10 C9 C8 119.9(5) . .
C30 C10 C11 119.3(5) . .
C9 C10 C11 121.0(5) . .
C9 C10 C30 119.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O5 2.436(3) 1_656
Ce1 O6 2.425(3) 1_556
Ce1 O1W 2.616(4) .
Ce1 O4 2.418(3) 2_757
Ce1 O7 2.491(3) 2_867
Ce1 O2 2.488(3) .
Ce1 O3 2.493(3) 2_868
Ce1 O1 2.579(3) .
O5 Ce1 2.436(3) 1_454
O5 C24 1.256(5) .
O6 Ce1 2.425(3) 1_554
O6 C38 1.266(5) .
O4 Ce1 2.418(3) 2_757
O4 C24 1.237(5) .
O7 Ce1 2.491(3) 2_867
O7 C38 1.254(6) .
O2 C1 1.255(5) .
O3 Ce1 2.493(3) 2_868
O3 C1 1.271(5) .
O1 C26 1.253(6) .
N1 C25 1.450(8) .
N1 C29 1.449(8) .
N1 C26 1.320(7) .
C28 C27 1.502(8) .
C28 C29 1.463(11) .
C38 C35 1.495(6) .
C27 C26 1.511(8) .
C14 C17 1.523(7) .
C14 C15 1.399(7) .
C14 C12 1.397(7) .
C17 C18 1.522(6) .
C5 C6 1.386(7) .
C5 C8 1.525(6) .
C5 C4 1.388(7) .
C36 C35 1.382(6) .
C36 C37 1.386(7) .
C2 C7 1.385(6) .
C2 C3 1.386(7) .
C2 C1 1.501(6) .
C34 C33 1.382(7) .
C34 C35 1.383(7) .
C24 C21 1.506(6) .
C7 C6 1.391(7) .
C33 C32 1.389(7) .
C23 C18 1.382(7) .
C23 C22 1.383(7) .
C32 C37 1.382(7) .
C32 C31 1.513(6) .
C21 C22 1.380(6) .
C21 C20 1.388(6) .
C19 C18 1.379(7) .
C19 C20 1.393(6) .
C11 C10 1.519(7) .
C15 C30 1.394(7) .
C15 C16 1.509(7) .
C31 C30 1.525(7) .
C3 C4 1.377(7) .
C30 C10 1.403(7) .
C13 C12 1.523(8) .
C12 C9 1.404(7) .
C8 C9 1.511(7) .
C9 C10 1.397(7) .
