#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:46:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179204 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/38/4313849.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_4313849
loop_
_publ_author_name
'Xiuli Wang'
'Yaqin Guo'
'Yangguang Li'
'Enbo Wang'
'Changwen Hu'
'Ninghai Hu'
_publ_section_title
;
 Novel Polyoxometalate-Templated, 3-D Supramolecular Networks Based on
 Lanthanide Dimers: Synthesis, Structure, and Fluorescent Properties of
 [Ln2(DNBA)4(DMF)8][Mo6O19] (DNBA = 3,5-Dinitrobenzoate)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4135
_journal_page_last               4140
_journal_paper_doi               10.1021/ic0342447
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C52 H68 Ce2 Mo6 N16 O51'
_chemical_formula_weight         2589.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                102.652(2)
_cell_angle_beta                 101.030(2)
_cell_angle_gamma                115.683(2)
_cell_formula_units_Z            1
_cell_length_a                   13.2731(9)
_cell_length_b                   13.8730(7)
_cell_length_c                   14.2067(6)
_cell_measurement_reflns_used    16053
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.36
_cell_volume                     2175.0(2)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16053
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.968
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         9888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0342
_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)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                7699
_reflns_number_total             9888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0342447si20030306_082131.cif
_cod_data_source_block           cemo6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4313849
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
Ce Ce 1.690061(15) 1.102769(17) 1.076358(14) 0.03868(7) Uani 1 1 d . . .
Mo1 Mo 1.64589(3) 0.64865(3) 0.47119(3) 0.04846(9) Uani 1 1 d . . .
Mo2 Mo 1.49064(3) 0.37200(3) 0.35927(2) 0.04533(9) Uani 1 1 d . . .
Mo3 Mo 1.35618(3) 0.51977(3) 0.39747(2) 0.04706(9) Uani 1 1 d . . .
O1 O 1.5000 0.5000 0.5000 0.0383(7) Uani 1 2 d S . .
O2 O 1.6111(2) 0.5197(2) 0.36300(19) 0.0490(6) Uani 1 1 d . . .
O3 O 1.5000(2) 0.6374(2) 0.3957(2) 0.0511(6) Uani 1 1 d . . .
O4 O 1.3777(2) 0.4129(2) 0.30282(18) 0.0462(6) Uani 1 1 d . . .
O5 O 1.7346(2) 0.6089(2) 0.5622(2) 0.0523(7) Uani 1 1 d . . .
O6 O 1.7518(3) 0.7592(3) 0.4536(3) 0.0719(9) Uani 1 1 d . . .
O7 O 1.3789(2) 0.2760(2) 0.4088(2) 0.0506(6) Uani 1 1 d . . .
O8 O 1.4873(3) 0.2818(3) 0.2568(2) 0.0619(8) Uani 1 1 d . . .
O9 O 1.2512(3) 0.5318(3) 0.3234(2) 0.0677(8) Uani 1 1 d . . .
O10 O 1.3861(2) 0.6143(2) 0.5316(2) 0.0508(6) Uani 1 1 d . . .
O11 O 1.6084(2) 0.8959(2) 1.0348(2) 0.0569(7) Uani 1 1 d . . .
O12 O 1.4110(2) 0.7986(2) 0.9842(2) 0.0616(8) Uani 1 1 d . . .
O13 O 1.3149(5) 0.3022(4) 0.8009(4) 0.156(2) Uani 1 1 d . . .
O14 O 1.2146(5) 0.3855(4) 0.8162(4) 0.155(3) Uani 1 1 d . . .
O15 O 1.7371(5) 0.5222(5) 0.9042(4) 0.141(2) Uani 1 1 d . . .
O16 O 1.8226(4) 0.7031(5) 0.9512(4) 0.1235(17) Uani 1 1 d . . .
O17 O 1.6794(2) 1.0382(3) 0.89371(19) 0.0593(7) Uani 1 1 d . . .
O18 O 1.4901(2) 0.9574(2) 0.87705(19) 0.0504(6) Uani 1 1 d . . .
O19 O 1.8102(3) 1.0236(4) 0.5999(3) 0.0882(11) Uani 1 1 d . . .
O20 O 1.6860(3) 0.9663(4) 0.4501(3) 0.0892(11) Uani 1 1 d . . .
O21 O 1.2663(3) 0.7756(3) 0.4008(2) 0.0889(11) Uani 1 1 d . . .
O22 O 1.2097(3) 0.7275(3) 0.5234(3) 0.0820(10) Uani 1 1 d . . .
O23 O 1.8409(3) 1.2653(3) 1.0417(2) 0.0724(9) Uani 1 1 d . . .
O24 O 1.8689(2) 1.0750(3) 1.0845(3) 0.0816(10) Uani 1 1 d . . .
O25 O 1.7668(3) 1.2756(3) 1.2236(2) 0.0741(9) Uani 1 1 d . . .
O26 O 1.7564(3) 1.0729(3) 1.2388(2) 0.0709(9) Uani 1 1 d . . .
N1 N 1.3060(5) 0.3889(4) 0.8258(4) 0.0997(18) Uani 1 1 d . . .
N2 N 1.7373(5) 0.6114(5) 0.9268(4) 0.0879(14) Uani 1 1 d . . .
N3 N 1.7100(4) 0.9809(3) 0.5418(3) 0.0645(10) Uani 1 1 d . . .
N4 N 1.2858(3) 0.7791(3) 0.4890(3) 0.0601(9) Uani 1 1 d . . .
N5 N 1.8850(5) 1.3131(5) 0.9082(4) 0.0991(16) Uani 1 1 d . . .
N6 N 2.0343(3) 1.0758(4) 1.1523(3) 0.0663(10) Uani 1 1 d . . .
N7 N 1.8855(3) 1.4554(3) 1.3284(3) 0.0577(9) Uani 1 1 d . . .
N8 N 1.8814(3) 1.0398(3) 1.3379(2) 0.0484(8) Uani 1 1 d . . .
C1 C 1.5130(3) 0.6979(3) 0.9564(3) 0.0446(8) Uani 1 1 d . . .
C2 C 1.4103(4) 0.5946(3) 0.9116(3) 0.0563(10) Uani 1 1 d . . .
H2 H 1.3375 0.5900 0.9077 0.056 Uiso 1 1 calc R . .
C3 C 1.4167(5) 0.4976(4) 0.8722(3) 0.0670(13) Uani 1 1 d . . .
C4 C 1.5213(5) 0.5019(4) 0.8754(3) 0.0703(13) Uani 1 1 d . . .
H4 H 1.5245 0.4363 0.8479 0.070 Uiso 1 1 calc R . .
C5 C 1.6213(4) 0.6049(4) 0.9200(3) 0.0614(11) Uani 1 1 d . . .
C6 C 1.6197(3) 0.7022(3) 0.9599(3) 0.0506(9) Uani 1 1 d . . .
H6 H 1.6899 0.7714 0.9895 0.051 Uiso 1 1 calc R . .
C7 C 1.5105(3) 0.8075(3) 0.9954(3) 0.0470(9) Uani 1 1 d . . .
C8 C 1.5455(3) 0.9470(3) 0.7276(3) 0.0402(8) Uani 1 1 d . . .
C9 C 1.6370(3) 0.9789(3) 0.6868(3) 0.0425(8) Uani 1 1 d . . .
H9 H 1.7152 1.0227 0.7294 0.042 Uiso 1 1 calc R . .
C10 C 1.6108(3) 0.9451(3) 0.5827(3) 0.0465(9) Uani 1 1 d . . .
C11 C 1.4978(3) 0.8801(3) 0.5153(3) 0.0474(9) Uani 1 1 d . . .
H11 H 1.4820 0.8580 0.4450 0.047 Uiso 1 1 calc R . .
C12 C 1.4096(3) 0.8498(3) 0.5582(3) 0.0456(9) Uani 1 1 d . . .
C13 C 1.4286(3) 0.8806(3) 0.6617(3) 0.0439(8) Uani 1 1 d . . .
H13 H 1.3656 0.8580 0.6871 0.044 Uiso 1 1 calc R . .
C14 C 1.5725(3) 0.9830(3) 0.8397(3) 0.0443(8) Uani 1 1 d . . .
C15 C 1.8998(5) 1.2832(6) 0.9862(5) 0.103(2) Uani 1 1 d . . .
H15 H 1.9656 1.2740 1.0026 0.103 Uiso 1 1 calc R . .
C16 C 1.7813(10) 1.3115(9) 0.8623(7) 0.207(6) Uani 1 1 d . . .
H16A H 1.7339 1.2449 0.8023 0.207 Uiso 1 1 calc R . .
H16B H 1.8007 1.3783 0.8437 0.207 Uiso 1 1 calc R . .
H16C H 1.7379 1.3101 0.9093 0.207 Uiso 1 1 calc R . .
C17 C 1.9596(8) 1.3233(11) 0.8465(8) 0.216(6) Uani 1 1 d . . .
H17A H 2.0322 1.3307 0.8844 0.216 Uiso 1 1 calc R . .
H17B H 1.9762 1.3893 0.8271 0.216 Uiso 1 1 calc R . .
H17C H 1.9205 1.2567 0.7863 0.216 Uiso 1 1 calc R . .
C18 C 1.9703(6) 1.1170(7) 1.1314(5) 0.114(3) Uani 1 1 d . . .
H18 H 2.0094 1.1961 1.1576 0.114 Uiso 1 1 calc R . .
C19 C 2.1575(5) 1.1359(7) 1.2092(6) 0.150(3) Uani 1 1 d . . .
H19A H 2.1870 1.2163 1.2265 0.150 Uiso 1 1 calc R . .
H19B H 2.1993 1.1139 1.1688 0.150 Uiso 1 1 calc R . .
H19C H 2.1690 1.1179 1.2705 0.150 Uiso 1 1 calc R . .
C20 C 1.9853(7) 0.9542(6) 1.1159(5) 0.140(3) Uani 1 1 d . . .
H20A H 1.9769 0.9264 1.1718 0.140 Uiso 1 1 calc R . .
H20B H 2.0372 0.9359 1.0870 0.140 Uiso 1 1 calc R . .
H20C H 1.9093 0.9193 1.0649 0.140 Uiso 1 1 calc R . .
C21 C 1.7838(4) 1.3626(4) 1.2822(3) 0.0623(11) Uani 1 1 d . . .
H21 H 1.7182 1.3635 1.2956 0.062 Uiso 1 1 calc R . .
C22 C 1.8984(5) 1.5550(5) 1.4008(5) 0.119(3) Uani 1 1 d . . .
H22A H 1.8251 1.5369 1.4137 0.119 Uiso 1 1 calc R . .
H22B H 1.9194 1.6156 1.3731 0.119 Uiso 1 1 calc R . .
H22C H 1.9593 1.5784 1.4634 0.119 Uiso 1 1 calc R . .
C23 C 1.9921(4) 1.4610(5) 1.3138(5) 0.103(2) Uani 1 1 d . . .
H23A H 2.0381 1.4590 1.3735 0.103 Uiso 1 1 calc R . .
H23B H 2.0373 1.5305 1.3022 0.103 Uiso 1 1 calc R . .
H23C H 1.9720 1.3974 1.2559 0.103 Uiso 1 1 calc R . .
C24 C 1.7874(3) 1.0093(4) 1.2629(3) 0.0545(10) Uani 1 1 d . . .
H24 H 1.7405 0.9321 1.2249 0.055 Uiso 1 1 calc R . .
C25 C 1.9549(5) 1.1560(4) 1.4035(4) 0.0932(18) Uani 1 1 d . . .
H25A H 1.9263 1.2020 1.3797 0.093 Uiso 1 1 calc R . .
H25B H 2.0346 1.1821 1.4031 0.093 Uiso 1 1 calc R . .
H25C H 1.9531 1.1619 1.4717 0.093 Uiso 1 1 calc R . .
C26 C 1.9074(4) 0.9548(4) 1.3638(4) 0.0790(15) Uani 1 1 d . . .
H26A H 1.8831 0.9413 1.4213 0.079 Uiso 1 1 calc R . .
H26B H 1.9908 0.9821 1.3805 0.079 Uiso 1 1 calc R . .
H26C H 1.8653 0.8851 1.3065 0.079 Uiso 1 1 calc 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'
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'
Mo Mo -1.6832 0.6857 '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'
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
O18 Ce O25 83.65(10) 2_877 . ?
O18 Ce O12 72.11(9) 2_877 2_877 ?
O25 Ce O12 76.30(10) . 2_877 ?
O18 Ce O11 76.48(9) 2_877 . ?
O25 Ce O11 140.21(11) . . ?
O12 Ce O11 127.31(9) 2_877 . ?
O18 Ce O26 79.75(10) 2_877 . ?
O25 Ce O26 69.22(11) . . ?
O12 Ce O26 137.37(10) 2_877 . ?
O11 Ce O26 73.50(10) . . ?
O18 Ce O23 142.05(10) 2_877 . ?
O25 Ce O23 72.43(11) . . ?
O12 Ce O23 73.83(11) 2_877 . ?
O11 Ce O23 139.45(11) . . ?
O26 Ce O23 116.54(11) . . ?
O18 Ce O17 120.66(8) 2_877 . ?
O25 Ce O17 141.83(11) . . ?
O12 Ce O17 83.69(10) 2_877 . ?
O11 Ce O17 77.32(10) . . ?
O26 Ce O17 138.81(10) . . ?
O23 Ce O17 70.90(10) . . ?
O18 Ce O24 143.18(11) 2_877 . ?
O25 Ce O24 103.06(11) . . ?
O12 Ce O24 144.70(11) 2_877 . ?
O11 Ce O24 75.74(10) . . ?
O26 Ce O24 69.52(10) . . ?
O23 Ce O24 72.51(12) . . ?
O17 Ce O24 75.60(10) . . ?
O6 Mo1 O2 104.61(14) . . ?
O6 Mo1 O5 102.91(14) . . ?
O2 Mo1 O5 89.39(11) . . ?
O6 Mo1 O3 103.47(14) . . ?
O2 Mo1 O3 87.65(11) . . ?
O5 Mo1 O3 153.35(11) . . ?
O6 Mo1 O7 102.13(14) . 2_866 ?
O2 Mo1 O7 153.20(11) . 2_866 ?
O5 Mo1 O7 86.38(11) . 2_866 ?
O3 Mo1 O7 84.44(11) . 2_866 ?
O6 Mo1 O1 178.18(12) . . ?
O2 Mo1 O1 77.21(8) . . ?
O5 Mo1 O1 77.01(8) . . ?
O3 Mo1 O1 76.50(8) . . ?
O7 Mo1 O1 76.05(8) 2_866 . ?
O8 Mo2 O7 103.88(14) . . ?
O8 Mo2 O4 103.31(12) . . ?
O7 Mo2 O4 89.13(11) . . ?
O8 Mo2 O10 102.84(12) . 2_866 ?
O7 Mo2 O10 88.10(11) . 2_866 ?
O4 Mo2 O10 153.61(10) . 2_866 ?
O8 Mo2 O2 102.16(13) . . ?
O7 Mo2 O2 153.94(11) . . ?
O4 Mo2 O2 85.79(11) . . ?
O10 Mo2 O2 85.26(11) 2_866 . ?
O8 Mo2 O1 178.41(11) . . ?
O7 Mo2 O1 77.67(8) . . ?
O4 Mo2 O1 76.99(7) . . ?
O10 Mo2 O1 76.77(7) 2_866 . ?
O2 Mo2 O1 76.28(7) . . ?
O9 Mo3 O3 103.77(14) . . ?
O9 Mo3 O10 103.64(13) . . ?
O3 Mo3 O10 88.15(12) . . ?
O9 Mo3 O4 103.24(13) . . ?
O3 Mo3 O4 87.69(11) . . ?
O10 Mo3 O4 153.02(10) . . ?
O9 Mo3 O5 103.01(14) . 2_866 ?
O3 Mo3 O5 153.21(10) . 2_866 ?
O10 Mo3 O5 86.34(12) . 2_866 ?
O4 Mo3 O5 85.47(11) . 2_866 ?
O9 Mo3 O1 179.07(12) . . ?
O3 Mo3 O1 77.09(7) . . ?
O10 Mo3 O1 76.71(7) . . ?
O4 Mo3 O1 76.38(7) . . ?
O5 Mo3 O1 76.13(7) 2_866 . ?
Mo2 O1 Mo2 180.0 . 2_866 ?
Mo2 O1 Mo1 90.086(13) . . ?
Mo2 O1 Mo1 89.914(13) 2_866 . ?
Mo2 O1 Mo1 89.914(13) . 2_866 ?
Mo2 O1 Mo1 90.086(13) 2_866 2_866 ?
Mo1 O1 Mo1 180.0 . 2_866 ?
Mo2 O1 Mo3 90.035(12) . . ?
Mo2 O1 Mo3 89.965(12) 2_866 . ?
Mo1 O1 Mo3 89.853(13) . . ?
Mo1 O1 Mo3 90.147(13) 2_866 . ?
Mo2 O1 Mo3 89.965(12) . 2_866 ?
Mo2 O1 Mo3 90.035(12) 2_866 2_866 ?
Mo1 O1 Mo3 90.147(13) . 2_866 ?
Mo1 O1 Mo3 89.853(13) 2_866 2_866 ?
Mo3 O1 Mo3 180.0 . 2_866 ?
Mo1 O2 Mo2 116.41(12) . . ?
Mo3 O3 Mo1 116.53(13) . . ?
Mo3 O4 Mo2 116.59(12) . . ?
Mo1 O5 Mo3 116.64(12) . 2_866 ?
Mo2 O7 Mo1 116.33(12) . 2_866 ?
Mo3 O10 Mo2 116.42(12) . 2_866 ?
C7 O11 Ce 138.5(2) . . ?
C7 O12 Ce 136.2(3) . 2_877 ?
C14 O17 Ce 107.9(2) . . ?
C14 O18 Ce 171.4(2) . 2_877 ?
C15 O23 Ce 140.5(4) . . ?
C18 O24 Ce 142.1(5) . . ?
C21 O25 Ce 164.7(3) . . ?
C24 O26 Ce 135.9(3) . . ?
O14 N1 O13 122.8(6) . . ?
O14 N1 C3 120.7(6) . . ?
O13 N1 C3 116.5(7) . . ?
O16 N2 O15 125.0(6) . . ?
O16 N2 C5 118.2(4) . . ?
O15 N2 C5 116.7(6) . . ?
O19 N3 O20 123.8(4) . . ?
O19 N3 C10 118.9(4) . . ?
O20 N3 C10 117.3(4) . . ?
O22 N4 O21 123.9(4) . . ?
O22 N4 C12 118.3(4) . . ?
O21 N4 C12 117.8(4) . . ?
C15 N5 C16 122.9(6) . . ?
C15 N5 C17 121.9(6) . . ?
C16 N5 C17 113.4(7) . . ?
C18 N6 C19 127.4(7) . . ?
C18 N6 C20 119.7(6) . . ?
C19 N6 C20 112.9(6) . . ?
C21 N7 C23 120.9(4) . . ?
C21 N7 C22 122.2(4) . . ?
C23 N7 C22 116.8(4) . . ?
C24 N8 C25 120.9(4) . . ?
C24 N8 C26 120.8(4) . . ?
C25 N8 C26 118.0(4) . . ?
C6 C1 C2 119.1(4) . . ?
C6 C1 C7 119.6(3) . . ?
C2 C1 C7 121.2(3) . . ?
C3 C2 C1 119.1(4) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C4 C3 C2 121.8(4) . . ?
C4 C3 N1 120.3(5) . . ?
C2 C3 N1 117.8(5) . . ?
C5 C4 C3 117.8(4) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
C4 C5 C6 122.5(4) . . ?
C4 C5 N2 118.9(4) . . ?
C6 C5 N2 118.6(4) . . ?
C5 C6 C1 119.6(4) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
O11 C7 O12 127.6(4) . . ?
O11 C7 C1 115.9(3) . . ?
O12 C7 C1 116.5(3) . . ?
C9 C8 C13 119.2(3) . . ?
C9 C8 C14 119.8(3) . . ?
C13 C8 C14 121.0(3) . . ?
C8 C9 C10 119.2(3) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C11 C10 C9 123.6(3) . . ?
C11 C10 N3 118.5(4) . . ?
C9 C10 N3 117.9(4) . . ?
C10 C11 C12 115.6(3) . . ?
C10 C11 H11 122.2 . . ?
C12 C11 H11 122.2 . . ?
C11 C12 C13 124.2(3) . . ?
C11 C12 N4 117.9(3) . . ?
C13 C12 N4 117.8(4) . . ?
C12 C13 C8 118.1(3) . . ?
C12 C13 H13 121.0 . . ?
C8 C13 H13 121.0 . . ?
O17 C14 O18 122.7(3) . . ?
O17 C14 C8 117.3(3) . . ?
O18 C14 C8 120.0(3) . . ?
O23 C15 N5 129.3(6) . . ?
O23 C15 H15 115.4 . . ?
N5 C15 H15 115.4 . . ?
N5 C16 H16A 109.5 . . ?
N5 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N5 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N5 C17 H17A 109.5 . . ?
N5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O24 C18 N6 132.3(8) . . ?
O24 C18 H18 113.8 . . ?
N6 C18 H18 113.8 . . ?
N6 C19 H19A 109.5 . . ?
N6 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N6 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N6 C20 H20A 109.5 . . ?
N6 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N6 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O25 C21 N7 125.9(4) . . ?
O25 C21 H21 117.0 . . ?
N7 C21 H21 117.0 . . ?
N7 C22 H22A 109.5 . . ?
N7 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N7 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N7 C23 H23A 109.5 . . ?
N7 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N7 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O26 C24 N8 125.4(4) . . ?
O26 C24 H24 117.3 . . ?
N8 C24 H24 117.3 . . ?
N8 C25 H25A 109.5 . . ?
N8 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N8 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N8 C26 H26A 109.5 . . ?
N8 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N8 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
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
Ce O18 2.444(2) 2_877 ?
Ce O25 2.456(3) . ?
Ce O12 2.465(3) 2_877 ?
Ce O11 2.465(3) . ?
Ce O26 2.496(3) . ?
Ce O23 2.507(3) . ?
Ce O17 2.507(3) . ?
Ce O24 2.550(3) . ?
Mo1 O6 1.681(3) . ?
Mo1 O2 1.893(3) . ?
Mo1 O5 1.912(3) . ?
Mo1 O3 1.948(3) . ?
Mo1 O7 1.960(3) 2_866 ?
Mo1 O1 2.3198(3) . ?
Mo2 O8 1.679(3) . ?
Mo2 O7 1.889(3) . ?
Mo2 O4 1.921(2) . ?
Mo2 O10 1.936(3) 2_866 ?
Mo2 O2 1.960(3) . ?
Mo2 O1 2.3075(3) . ?
Mo3 O9 1.671(3) . ?
Mo3 O3 1.909(3) . ?
Mo3 O10 1.916(3) . ?
Mo3 O4 1.931(2) . ?
Mo3 O5 1.953(3) 2_866 ?
Mo3 O1 2.3250(3) . ?
O1 Mo2 2.3075(3) 2_866 ?
O1 Mo1 2.3198(3) 2_866 ?
O1 Mo3 2.3250(3) 2_866 ?
O5 Mo3 1.953(3) 2_866 ?
O7 Mo1 1.960(3) 2_866 ?
O10 Mo2 1.936(3) 2_866 ?
O11 C7 1.243(4) . ?
O12 C7 1.247(4) . ?
O12 Ce 2.465(3) 2_877 ?
O13 N1 1.241(8) . ?
O14 N1 1.173(7) . ?
O15 N2 1.207(6) . ?
O16 N2 1.196(6) . ?
O17 C14 1.253(4) . ?
O18 C14 1.254(4) . ?
O18 Ce 2.444(2) 2_877 ?
O19 N3 1.218(5) . ?
O20 N3 1.229(5) . ?
O21 N4 1.215(5) . ?
O22 N4 1.221(5) . ?
O23 C15 1.202(6) . ?
O24 C18 1.184(6) . ?
O25 C21 1.205(5) . ?
O26 C24 1.208(5) . ?
N1 C3 1.464(6) . ?
N2 C5 1.486(6) . ?
N3 C10 1.473(5) . ?
N4 C12 1.480(5) . ?
N5 C15 1.275(7) . ?
N5 C16 1.394(9) . ?
N5 C17 1.427(9) . ?
N6 C18 1.239(6) . ?
N6 C19 1.428(6) . ?
N6 C20 1.441(7) . ?
N7 C21 1.303(5) . ?
N7 C23 1.440(6) . ?
N7 C22 1.449(6) . ?
N8 C24 1.306(4) . ?
N8 C25 1.432(6) . ?
N8 C26 1.464(5) . ?
C1 C6 1.381(5) . ?
C1 C2 1.376(5) . ?
C1 C7 1.518(5) . ?
C2 C3 1.385(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(7) . ?
C4 C5 1.358(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.356(5) . ?
C6 H6 0.9300 . ?
C8 C9 1.387(5) . ?
C8 C13 1.400(5) . ?
C8 C14 1.481(5) . ?
C9 C10 1.374(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.371(5) . ?
C11 C12 1.371(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.378(5) . ?
C13 H13 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
