#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:09:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179315 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/12/4321242.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_4321242
loop_
_publ_author_name
'M. Hashimoto'
'M. Takata'
'A. Yagasaki'
_publ_section_title
;
 Reactivity of Organometallic Molybdate toward Lanthanide Cations.
 Synthesis and Structure of Polynuclear Lanthanide-Molybdate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3712
_journal_page_last               3714
_journal_paper_doi               10.1021/ic991221c
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C28 H66 Ce3 Mo2 N7 O38'
_chemical_formula_weight         1721.12
_chemical_name_common            (Ce6Mo4)(Ce3Mo2)2_ion_pair
_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                97.65(4)
_cell_angle_beta                 102.75(3)
_cell_angle_gamma                102.52(4)
_cell_formula_units_Z            4
_cell_length_a                   21.387(6)
_cell_length_b                   30.37(2)
_cell_length_c                   12.441(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      17.12
_cell_measurement_theta_min      15.40
_cell_volume                     7554(7)
_computing_cell_refinement       TEXSAN
_computing_data_collection       TEXSAN
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    ORTEPII
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'RIGAKU AFC-5R'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2875
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            26589
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        -12.5,1.8,-4.8
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.173
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7915
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3380
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.955
_refine_diff_density_min         -1.419
_refine_diff_density_rms         0.260
_refine_ls_extinction_coef       0.00036(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1262
_refine_ls_number_reflns         26589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.2693
_refine_ls_R_factor_gt           0.0936
_refine_ls_shift/su_max          0.090
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2346
_refine_ls_wR_factor_ref         0.3050
_reflns_number_gt                9874
_reflns_number_total             26589
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991221c_3.cif
_cod_data_source_block           yagcm1b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7554(6)
_cod_database_code               4321242
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.27025(6) 0.26638(5) 0.36165(10) 0.0435(4) Uani 1 d . . .
Ce2 Ce 0.49827(6) 0.22213(5) 0.46409(10) 0.0444(4) Uani 1 d . . .
Ce3 Ce 0.51598(7) 0.42795(5) 0.51648(12) 0.0539(4) Uani 1 d . . .
Mo1 Mo 0.44024(10) 0.31141(8) 0.27072(15) 0.0449(6) Uani 1 d . . .
Mo2 Mo 0.42699(10) 0.31701(8) 0.63397(15) 0.0433(5) Uani 1 d . . .
O11 O 0.3574(7) 0.2982(6) 0.2823(12) 0.053(4) Uani 1 d . . .
O12 O 0.4768(7) 0.2693(5) 0.3310(11) 0.044(4) Uani 1 d . . .
O13 O 0.4802(9) 0.3640(6) 0.3605(12) 0.061(5) Uani 1 d . . .
O21 O 0.3482(7) 0.3008(6) 0.5360(11) 0.056(5) Uani 1 d . . .
O22 O 0.4676(7) 0.2776(5) 0.5905(11) 0.054(4) Uani 1 d . . .
O23 O 0.4688(9) 0.3702(6) 0.6085(12) 0.061(5) Uani 1 d . . .
N1A N 0.3427(9) 0.1944(7) 0.4513(16) 0.048(5) Uani 1 d . . .
O1A O 0.3656(7) 0.2217(6) 0.3904(12) 0.049(4) Uani 1 d . . .
O1B O 0.2848(7) 0.1941(6) 0.4589(13) 0.060(5) Uani 1 d . . .
O1C O 0.3769(8) 0.1725(6) 0.4988(13) 0.061(5) Uani 1 d . . .
N2A N 0.2451(12) 0.3580(10) 0.443(3) 0.081(8) Uani 1 d . . .
O2A O 0.2823(8) 0.3529(6) 0.3779(15) 0.065(5) Uani 1 d . . .
O2B O 0.2165(9) 0.3228(8) 0.4665(18) 0.085(6) Uani 1 d . . .
O2C O 0.2418(14) 0.3958(8) 0.472(2) 0.132(11) Uani 1 d . . .
N3A N 0.6126(14) 0.1899(12) 0.386(2) 0.093(9) Uani 1 d . . .
O3A O 0.5824(9) 0.2151(8) 0.3373(16) 0.079(6) Uani 1 d . . .
O3B O 0.5910(11) 0.1765(9) 0.464(2) 0.105(8) Uani 1 d . . .
O3C O 0.6515(12) 0.1724(10) 0.3550(19) 0.122(10) Uani 1 d . . .
N4A N 0.6234(11) 0.2910(9) 0.6152(19) 0.067(7) Uani 1 d . . .
O4A O 0.5920(8) 0.2973(7) 0.5218(15) 0.070(5) Uani 1 d . . .
O4B O 0.6004(10) 0.2518(7) 0.6367(17) 0.089(7) Uani 1 d . . .
O4C O 0.6715(11) 0.3197(9) 0.671(2) 0.142(12) Uani 1 d . . .
N5A N 0.6235(13) 0.4902(10) 0.709(3) 0.104(10) Uani 1 d . . .
O5A O 0.5821(12) 0.4545(8) 0.7264(17) 0.108(9) Uani 1 d . . .
O5B O 0.6174(12) 0.4958(8) 0.6063(18) 0.096(8) Uani 1 d . . .
O5C O 0.6573(18) 0.5236(12) 0.785(2) 0.22(2) Uani 1 d . . .
N6A N 0.556(2) 0.4963(11) 0.359(3) 0.130(16) Uani 1 d . . .
O6A O 0.5825(12) 0.4616(9) 0.3699(17) 0.105(8) Uani 1 d . . .
O6B O 0.4902(10) 0.5032(9) 0.5923(17) 0.082(7) Uani 1 d . . .
O6C O 0.576(2) 0.5216(11) 0.304(3) 0.22(2) Uani 1 d . . .
C10 C 0.5005(14) 0.3344(13) 0.1343(17) 0.074(10) Uani 1 d . . .
C11 C 0.4442(14) 0.3535(9) 0.1187(16) 0.050(7) Uani 1 d . . .
C12 C 0.3902(17) 0.3147(10) 0.0784(16) 0.069(10) Uani 1 d . . .
C13 C 0.4058(15) 0.2765(10) 0.0753(19) 0.060(8) Uani 1 d . . .
C14 C 0.4773(17) 0.2872(12) 0.1130(19) 0.071(9) Uani 1 d . . .
C15 C 0.5694(15) 0.3650(15) 0.180(3) 0.110(13) Uani 1 d . . .
C16 C 0.442(2) 0.4041(12) 0.139(3) 0.116(14) Uani 1 d . . .
C17 C 0.3173(16) 0.3148(16) 0.047(3) 0.125(16) Uani 1 d . . .
C18 C 0.3632(18) 0.2264(14) 0.046(3) 0.117(14) Uani 1 d . . .
C19 C 0.5226(19) 0.2528(15) 0.113(3) 0.118(14) Uani 1 d . . .
C20 C 0.4256(14) 0.2762(9) 0.7921(16) 0.054(7) Uani 1 d . . .
C21 C 0.3651(13) 0.2917(10) 0.767(2) 0.059(7) Uani 1 d . . .
C22 C 0.3833(16) 0.3427(11) 0.7827(18) 0.068(9) Uani 1 d . . .
C23 C 0.4554(16) 0.3580(12) 0.8287(17) 0.080(11) Uani 1 d . . .
C24 C 0.4806(17) 0.3159(12) 0.828(2) 0.076(9) Uani 1 d . . .
C25 C 0.432(2) 0.2311(10) 0.787(2) 0.095(12) Uani 1 d . . .
C26 C 0.486(2) 0.4129(14) 0.863(3) 0.16(2) Uani 1 d . . .
C27 C 0.5514(15) 0.3185(16) 0.862(3) 0.123(15) Uani 1 d . . .
C28 C 0.329(2) 0.3700(17) 0.760(3) 0.15(2) Uani 1 d . . .
C29 C 0.2944(13) 0.2588(11) 0.722(2) 0.079(10) Uani 1 d . . .
O1WA O 0.1708(7) 0.2258(6) 0.4169(15) 0.061(5) Uani 1 d . . .
O1WB O 0.2347(8) 0.1974(6) 0.2070(13) 0.063(5) Uani 1 d . . .
O1WC O 0.1810(9) 0.2781(6) 0.2047(15) 0.077(6) Uani 1 d . . .
O2WA O 0.4995(8) 0.1669(6) 0.6029(12) 0.058(5) Uani 1 d . . .
O2WB O 0.4459(8) 0.1525(6) 0.3139(13) 0.065(5) Uani 1 d . . .
O3WA O 0.6088(9) 0.3904(7) 0.5323(18) 0.085(6) Uani 1 d . . .
O3WB O 0.3987(9) 0.4234(7) 0.4283(18) 0.088(7) Uani 1 d . . .
Ce4 Ce -0.01561(6) -0.14221(5) 0.02900(10) 0.0442(4) Uani 1 d . . .
Ce5 Ce 0.27225(6) -0.14743(5) 0.21911(11) 0.0448(4) Uani 1 d . . .
Ce6 Ce 0.23414(6) 0.01808(5) 0.23640(10) 0.0418(4) Uani 1 d . . .
Mo3 Mo 0.13040(9) -0.09749(8) 0.32190(14) 0.0407(5) Uani 1 d . . .
Mo4 Mo 0.16768(9) -0.09432(8) -0.02268(14) 0.0395(5) Uani 1 d . . .
O34 O 0.0568(7) -0.1183(6) 0.2153(11) 0.058(5) Uani 1 d . . .
O35 O 0.1835(7) -0.1314(6) 0.2929(11) 0.051(4) Uani 1 d . . .
O36 O 0.1645(7) -0.0427(6) 0.3034(12) 0.052(4) Uani 1 d . . .
O44 O 0.0834(7) -0.1164(6) -0.0256(11) 0.053(5) Uani 1 d . . .
O45 O 0.2122(8) -0.1288(6) 0.0496(11) 0.059(5) Uani 1 d . . .
O46 O 0.1925(7) -0.0406(6) 0.0628(11) 0.052(4) Uani 1 d . . .
N11A N -0.0201(18) -0.0514(9) 0.132(3) 0.112(16) Uani 1 d . . .
O11A O -0.0663(9) -0.0872(7) 0.1297(15) 0.067(5) Uani 1 d . . .
O11B O 0.0159(10) -0.0559(9) 0.0770(16) 0.079(7) Uani 1 d . . .
O11C O -0.0183(11) -0.0201(11) 0.197(3) 0.127(9) Uani 1 d . . .
N12A N -0.0893(10) -0.1338(9) -0.2081(18) 0.057(6) Uani 1 d . . .
O12A O -0.0678(9) -0.1684(7) -0.1943(12) 0.064(5) Uani 1 d . . .
O12B O -0.0791(8) -0.1037(7) -0.1232(13) 0.066(5) Uani 1 d . . .
O12C O -0.1202(8) -0.1323(6) -0.3039(13) 0.062(5) Uani 1 d . . .
N13A N -0.1339(11) -0.1990(9) 0.082(2) 0.079(8) Uani 1 d . . .
O13A O -0.0777(9) -0.1891(8) 0.1509(14) 0.097(8) Uani 1 d . . .
O13B O -0.1393(8) -0.1811(7) -0.0077(15) 0.079(6) Uani 1 d . . .
O13C O -0.1827(10) -0.2241(9) 0.0976(19) 0.120(10) Uani 1 d . . .
N14A N 0.0126(15) -0.2362(9) -0.014(2) 0.080(8) Uani 1 d . . .
O14A O 0.0513(10) -0.2036(7) 0.060(2) 0.102(8) Uani 1 d . . .
O14B O -0.0394(10) -0.2275(8) -0.0585(18) 0.094(7) Uani 1 d . . .
O14C O 0.0274(15) -0.2720(9) -0.030(3) 0.174(15) Uani 1 d . . .
N15A N 0.3296(9) -0.0476(7) 0.2041(17) 0.041(5) Uani 1 d . . .
O15A O 0.2862(7) -0.0588(5) 0.2591(11) 0.043(4) Uani 1 d . . .
O15B O 0.3566(9) -0.0762(7) 0.1738(15) 0.070(5) Uani 1 d . . .
O15C O 0.3420(8) -0.0090(7) 0.1860(15) 0.066(5) Uani 1 d . . .
N16A N 0.3758(13) -0.1890(10) 0.139(2) 0.083(8) Uani 1 d . . .
O16A O 0.3193(11) -0.1917(8) 0.0781(14) 0.095(8) Uani 1 d . . .
O16B O 0.3889(8) -0.1638(7) 0.2359(15) 0.071(5) Uani 1 d . . .
O16C O 0.4181(12) -0.2044(11) 0.1104(17) 0.133(12) Uani 1 d . . .
N17A O 0.3551(13) 0.0626(10) 0.434(2) 0.114(9) Uani 1 d . . .
O17A O 0.3131(8) 0.0276(7) 0.4341(14) 0.064(5) Uani 1 d . . .
O17B O 0.3484(8) 0.0788(7) 0.3394(15) 0.068(5) Uani 1 d . . .
O17C O 0.4053(9) 0.0794(7) 0.5095(16) 0.082(6) Uani 1 d . . .
N18A N 0.2680(12) 0.0985(10) 0.1114(19) 0.068(6) Uani 1 d . . .
O18A O 0.2416(9) 0.1027(7) 0.1941(13) 0.069(5) Uani 1 d . . .
O18B O 0.2785(9) 0.0576(7) 0.0903(16) 0.071(6) Uani 1 d . . .
O18C O 0.2826(12) 0.1296(8) 0.0659(19) 0.102(8) Uani 1 d . . .
C30 C 0.0553(11) -0.1010(10) 0.4445(18) 0.050(7) Uani 1 d . . .
C31 C 0.0847(14) -0.1373(10) 0.4507(18) 0.059(7) Uani 1 d . . .
C32 C 0.1556(14) -0.1157(18) 0.505(2) 0.103(16) Uani 1 d . . .
C33 C 0.1661(14) -0.0685(13) 0.524(2) 0.075(10) Uani 1 d . . .
C34 C 0.1060(12) -0.0592(10) 0.4891(16) 0.054(7) Uani 1 d . . .
C35 C -0.0193(12) -0.1044(15) 0.399(2) 0.110(14) Uani 1 d . . .
C36 C 0.0466(19) -0.1933(11) 0.412(3) 0.105(13) Uani 1 d . . .
C37 C 0.1982(19) -0.1554(16) 0.524(3) 0.133(17) Uani 1 d . . .
C38 C 0.2337(12) -0.0382(13) 0.577(2) 0.097(13) Uani 1 d . . .
C39 C 0.1016(16) -0.0131(11) 0.499(2) 0.081(9) Uani 1 d . . .
C40 C 0.1776(11) -0.0520(10) -0.1769(17) 0.051(7) Uani 1 d . . .
C41 C 0.1254(12) -0.0896(9) -0.2180(16) 0.045(6) Uani 1 d . . .
C42 C 0.1494(14) -0.1312(11) -0.2134(16) 0.063(8) Uani 1 d . . .
C43 C 0.2196(12) -0.1153(11) -0.1659(18) 0.055(7) Uani 1 d . . .
C44 C 0.2362(12) -0.0681(12) -0.1434(18) 0.066(9) Uani 1 d . . .
C45 C 0.1782(14) -0.0037(9) -0.165(3) 0.066(8) Uani 1 d . . .
C46 C 0.0527(11) -0.0889(10) -0.261(2) 0.061(8) Uani 1 d . . .
C47 C 0.1074(19) -0.1829(15) -0.251(3) 0.112(13) Uani 1 d . . .
C48 C 0.2656(12) -0.1477(11) -0.149(2) 0.072(9) Uani 1 d . . .
C49 C 0.3062(12) -0.0379(15) -0.092(2) 0.114(15) Uani 1 d . . .
O5WA O 0.3411(9) -0.1179(7) 0.4163(14) 0.078(6) Uani 1 d . . .
O5WB O 0.2805(9) -0.2167(6) 0.3120(17) 0.073(6) Uani 1 d . . .
O5WC O 0.1779(9) -0.2155(7) 0.1224(17) 0.085(6) Uani 1 d . . .
O6WA O 0.2020(9) 0.0702(6) 0.3771(13) 0.068(5) Uani 1 d . . .
O6WB O 0.1223(7) 0.0235(6) 0.1377(13) 0.055(5) Uani 1 d . . .
O11T O 0.2329(12) 0.0893(9) 0.6061(16) 0.117(9) Uani 1 d . . .
C11T C 0.2981(16) 0.1016(14) 0.681(3) 0.111(13) Uani 1 d . . .
C12T C 0.279(3) 0.1190(13) 0.791(2) 0.15(2) Uani 1 d . . .
C13T C 0.222(6) 0.132(4) 0.762(7) 0.39(8) Uani 1 d . . .
C14T C 0.192(3) 0.1170(17) 0.640(5) 0.16(2) Uani 1 d . . .
O21T O 0.4785(11) 0.1239(9) 0.1288(19) 0.120(9) Uani 1 d . . .
C21T C 0.5406(18) 0.1305(16) 0.092(3) 0.142(19) Uani 1 d . . .
C22T C 0.524(2) 0.094(2) -0.006(5) 0.22(3) Uani 1 d . . .
C23T C 0.448(3) 0.074(2) -0.045(4) 0.21(3) Uani 1 d . . .
C24T C 0.422(2) 0.091(2) 0.040(3) 0.17(2) Uani 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ce Ce -0.2486 2.6331 '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'
O O 0.0106 0.0060 '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'
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'
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
O21 Ce1 O11 84.6(5) . . no
O21 Ce1 O1WA 103.6(5) . . no
O11 Ce1 O1WA 171.6(5) . . no
O21 Ce1 O1WB 143.3(5) . . no
O11 Ce1 O1WB 89.4(6) . . no
O1WA Ce1 O1WB 82.7(6) . . no
O21 Ce1 O1WC 145.3(6) . . no
O11 Ce1 O1WC 93.3(6) . . no
O1WA Ce1 O1WC 81.3(6) . . no
O1WB Ce1 O1WC 71.0(6) . . no
O21 Ce1 O2A 74.5(6) . . no
O11 Ce1 O2A 70.9(6) . . no
O1WA Ce1 O2A 113.1(6) . . no
O1WB Ce1 O2A 136.8(5) . . no
O1WC Ce1 O2A 72.2(6) . . no
O21 Ce1 O2B 73.8(6) . . no
O11 Ce1 O2B 118.3(6) . . no
O1WA Ce1 O2B 67.0(6) . . no
O1WB Ce1 O2B 138.7(6) . . no
O1WC Ce1 O2B 77.0(6) . . no
O2A Ce1 O2B 47.9(6) . . no
O21 Ce1 O1A 71.4(5) . . no
O11 Ce1 O1A 68.5(5) . . no
O1WA Ce1 O1A 111.6(5) . . no
O1WB Ce1 O1A 72.7(5) . . no
O1WC Ce1 O1A 139.4(6) . . no
O2A Ce1 O1A 128.4(5) . . no
O2B Ce1 O1A 143.6(6) . . no
O21 Ce1 O1B 76.9(5) . . no
O11 Ce1 O1B 115.9(5) . . no
O1WA Ce1 O1B 64.7(5) . . no
O1WB Ce1 O1B 73.3(5) . . no
O1WC Ce1 O1B 133.1(5) . . no
O2A Ce1 O1B 149.8(5) . . no
O2B Ce1 O1B 114.1(6) . . no
O1A Ce1 O1B 47.4(5) . . no
O12 Ce2 O22 85.3(5) . . no
O12 Ce2 O2WB 90.0(5) . . no
O22 Ce2 O2WB 140.2(5) . . no
O12 Ce2 O2WA 170.0(5) . . no
O22 Ce2 O2WA 91.6(5) . . no
O2WB Ce2 O2WA 86.4(5) . . no
O12 Ce2 O4A 71.5(5) . . no
O22 Ce2 O4A 71.4(5) . . no
O2WB Ce2 O4A 143.3(6) . . no
O2WA Ce2 O4A 116.5(5) . . no
O12 Ce2 O4B 119.8(6) . . no
O22 Ce2 O4B 74.7(6) . . no
O2WB Ce2 O4B 138.9(6) . . no
O2WA Ce2 O4B 68.2(6) . . no
O4A Ce2 O4B 48.3(6) . . no
O12 Ce2 O3B 121.1(6) . . no
O22 Ce2 O3B 139.8(6) . . no
O2WB Ce2 O3B 74.7(7) . . no
O2WA Ce2 O3B 66.8(7) . . no
O4A Ce2 O3B 87.9(7) . . no
O4B Ce2 O3B 65.9(7) . . no
O12 Ce2 O3A 74.8(6) . . no
O22 Ce2 O3A 142.5(6) . . no
O2WB Ce2 O3A 72.4(6) . . no
O2WA Ce2 O3A 112.8(6) . . no
O4A Ce2 O3A 72.3(6) . . no
O4B Ce2 O3A 87.9(7) . . no
O3B Ce2 O3A 46.3(7) . . no
O12 Ce2 O1A 65.5(5) . . no
O22 Ce2 O1A 68.4(5) . . no
O2WB Ce2 O1A 73.6(5) . . no
O2WA Ce2 O1A 104.5(5) . . no
O4A Ce2 O1A 122.2(5) . . no
O4B Ce2 O1A 142.3(6) . . no
O3B Ce2 O1A 147.6(7) . . no
O3A Ce2 O1A 126.8(5) . . no
O12 Ce2 O1C 110.3(5) . . no
O22 Ce2 O1C 75.4(5) . . no
O2WB Ce2 O1C 69.3(5) . . no
O2WA Ce2 O1C 59.7(5) . . no
O4A Ce2 O1C 146.5(5) . . no
O4B Ce2 O1C 117.9(7) . . no
O3B Ce2 O1C 115.8(7) . . no
O3A Ce2 O1C 141.2(6) . . no
O1A Ce2 O1C 45.0(4) . . no
O23 Ce3 O13 81.5(5) . . no
O23 Ce3 O3WB 83.3(6) . . no
O13 Ce3 O3WB 73.8(7) . . no
O23 Ce3 O3WA 85.2(6) . . no
O13 Ce3 O3WA 74.5(6) . . no
O3WB Ce3 O3WA 147.5(7) . . no
O23 Ce3 O6B 107.7(6) . . no
O13 Ce3 O6B 142.8(6) . . no
O3WB Ce3 O6B 71.7(7) . . no
O3WA Ce3 O6B 140.8(6) . . no
O23 Ce3 O5B 126.1(6) . . no
O13 Ce3 O5B 138.5(7) . . no
O3WB Ce3 O5B 132.7(7) . . no
O3WA Ce3 O5B 77.7(7) . . no
O6B Ce3 O5B 64.7(7) . . no
O23 Ce3 O5A 75.3(6) . . no
O13 Ce3 O5A 143.6(7) . . no
O3WB Ce3 O5A 129.4(8) . . no
O3WA Ce3 O5A 75.9(8) . . no
O6B Ce3 O5A 72.2(7) . . no
O5B Ce3 O5A 51.0(6) . . no
O23 Ce3 O6B 152.1(6) . 2_666 no
O13 Ce3 O6B 100.3(6) . 2_666 no
O3WB Ce3 O6B 70.8(6) . 2_666 no
O3WA Ce3 O6B 122.3(7) . 2_666 no
O6B Ce3 O6B 55.1(8) . 2_666 no
O5B Ce3 O6B 70.0(7) . 2_666 no
O5A Ce3 O6B 113.3(7) . 2_666 no
O23 Ce3 O6A 155.4(7) . . no
O13 Ce3 O6A 78.3(6) . . no
O3WB Ce3 O6A 104.3(8) . . no
O3WA Ce3 O6A 75.9(8) . . no
O6B Ce3 O6A 96.9(8) . . no
O5B Ce3 O6A 65.4(6) . . no
O5A Ce3 O6A 114.1(7) . . no
O6B Ce3 O6A 47.5(7) 2_666 . no
O13 Mo1 O11 106.3(8) . . no
O13 Mo1 O12 106.2(7) . . no
O11 Mo1 O12 105.6(7) . . no
O13 Mo1 C14 121.1(11) . . no
O11 Mo1 C14 126.5(10) . . no
O12 Mo1 C14 84.9(9) . . no
O13 Mo1 C13 141.4(8) . . no
O11 Mo1 C13 91.7(9) . . no
O12 Mo1 C13 101.1(9) . . no
C14 Mo1 C13 35.3(10) . . no
O13 Mo1 C12 116.3(8) . . no
O11 Mo1 C12 84.3(9) . . no
O12 Mo1 C12 131.7(9) . . no
C14 Mo1 C12 54.3(11) . . no
C13 Mo1 C12 30.6(9) . . no
O13 Mo1 C11 86.2(8) . . no
O11 Mo1 C11 107.7(8) . . no
O12 Mo1 C11 139.4(8) . . no
C14 Mo1 C11 56.6(10) . . no
C13 Mo1 C11 55.6(9) . . no
C12 Mo1 C11 33.7(8) . . no
O13 Mo1 C10 90.0(9) . . no
O11 Mo1 C10 138.6(8) . . no
O12 Mo1 C10 105.9(10) . . no
C14 Mo1 C10 33.4(9) . . no
C13 Mo1 C10 56.2(9) . . no
C12 Mo1 C10 54.6(10) . . no
C11 Mo1 C10 34.3(9) . . no
O22 Mo2 O21 104.4(7) . . no
O22 Mo2 O23 105.6(8) . . no
O21 Mo2 O23 106.0(8) . . no
O22 Mo2 C22 142.9(8) . . no
O21 Mo2 C22 92.7(9) . . no
O23 Mo2 C22 100.8(10) . . no
O22 Mo2 C24 88.8(9) . . no
O21 Mo2 C24 141.6(10) . . no
O23 Mo2 C24 104.8(10) . . no
C22 Mo2 C24 59.2(10) . . no
O22 Mo2 C21 112.3(9) . . no
O21 Mo2 C21 84.6(8) . . no
O23 Mo2 C21 136.6(9) . . no
C22 Mo2 C21 36.0(9) . . no
C24 Mo2 C21 57.2(10) . . no
O22 Mo2 C23 122.5(10) . . no
O21 Mo2 C23 127.5(10) . . no
O23 Mo2 C23 84.3(9) . . no
C22 Mo2 C23 35.4(9) . . no
C24 Mo2 C23 35.5(10) . . no
C21 Mo2 C23 58.0(9) . . no
O22 Mo2 C20 83.7(9) . . no
O21 Mo2 C20 110.7(8) . . no
O23 Mo2 C20 138.4(8) . . no
C22 Mo2 C20 59.3(9) . . no
C24 Mo2 C20 33.9(9) . . no
C21 Mo2 C20 34.5(8) . . no
C23 Mo2 C20 58.0(10) . . no
Mo1 O11 Ce1 154.7(8) . . no
Mo1 O12 Ce2 155.3(8) . . no
Mo1 O13 Ce3 163.9(9) . . no
Mo2 O21 Ce1 156.1(8) . . no
Mo2 O22 Ce2 159.1(8) . . no
Mo2 O23 Ce3 162.1(8) . . no
O1C N1A O1B 125(2) . . no
O1C N1A O1A 120.0(19) . . no
O1B N1A O1A 115.3(18) . . no
N1A O1A Ce1 98.2(12) . . no
N1A O1A Ce2 97.6(11) . . no
Ce1 O1A Ce2 150.4(7) . . no
N1A O1A Mo1 169.4(13) . . no
Ce1 O1A Mo1 80.5(4) . . no
Ce2 O1A Mo1 79.4(4) . . no
N1A O1B Ce1 98.1(13) . . no
N1A O1C Ce2 95.8(13) . . no
O2C N2A O2B 128(3) . . no
O2C N2A O2A 117(3) . . no
O2B N2A O2A 115(3) . . no
N2A O2A Ce1 99.2(16) . . no
N2A O2B Ce1 97.5(18) . . no
O3C N3A O3A 127(3) . . no
O3C N3A O3B 118(3) . . no
O3A N3A O3B 114(3) . . no
N3A O3A Ce2 99.5(16) . . no
N3A O3B Ce2 99.7(19) . . no
O4C N4A O4B 126(3) . . no
O4C N4A O4A 120(3) . . no
O4B N4A O4A 113(2) . . no
N4A O4A Ce2 99.4(16) . . no
N4A O4B Ce2 98.7(14) . . no
O5C N5A O5B 118(3) . . no
O5C N5A O5A 123(4) . . no
O5B N5A O5A 117(2) . . no
N5A O5A Ce3 94.5(18) . . no
N5A O5B Ce3 97.2(17) . . no
O6C N6A O6B 129(4) . 2_666 no
O6C N6A O6A 116(5) . . no
O6B N6A O6A 114(4) 2_666 . no
N6A O6A Ce3 96(3) . . no
N6A O6B Ce3 122(2) 2_666 . no
N6A O6B Ce3 101(2) 2_666 2_666 no
Ce3 O6B Ce3 124.9(8) . 2_666 no
C14 C10 C11 108(3) . . no
C14 C10 C15 131(4) . . no
C11 C10 C15 120(3) . . no
C14 C10 Mo1 70.4(14) . . no
C11 C10 Mo1 72.6(14) . . no
C15 C10 Mo1 116.6(16) . . no
C12 C11 C10 103(3) . . no
C12 C11 C16 127(3) . . no
C10 C11 C16 129(3) . . no
C12 C11 Mo1 72.9(13) . . no
C10 C11 Mo1 73.1(13) . . no
C16 C11 Mo1 118.8(16) . . no
C13 C12 C11 114(3) . . no
C13 C12 C17 119(3) . . no
C11 C12 C17 126(3) . . no
C13 C12 Mo1 73.8(16) . . no
C11 C12 Mo1 73.4(12) . . no
C17 C12 Mo1 117.9(19) . . no
C12 C13 C14 107(3) . . no
C12 C13 C18 132(3) . . no
C14 C13 C18 121(3) . . no
C12 C13 Mo1 75.6(15) . . no
C14 C13 Mo1 70.8(13) . . no
C18 C13 Mo1 116.2(17) . . no
C10 C14 C13 107(3) . . no
C10 C14 C19 124(3) . . no
C13 C14 C19 128(3) . . no
C10 C14 Mo1 76.1(15) . . no
C13 C14 Mo1 73.8(14) . . no
C19 C14 Mo1 122.8(18) . . no
C25 C20 C24 124(3) . . no
C25 C20 C21 128(3) . . no
C24 C20 C21 108(2) . . no
C25 C20 Mo2 123.0(16) . . no
C24 C20 Mo2 72.2(13) . . no
C21 C20 Mo2 72.0(12) . . no
C20 C21 C22 109(2) . . no
C20 C21 C29 124(3) . . no
C22 C21 C29 127(3) . . no
C20 C21 Mo2 73.5(11) . . no
C22 C21 Mo2 69.2(12) . . no
C29 C21 Mo2 119.1(15) . . no
C23 C22 C21 107(3) . . no
C23 C22 C28 132(4) . . no
C21 C22 C28 121(3) . . no
C23 C22 Mo2 75.4(15) . . no
C21 C22 Mo2 74.8(13) . . no
C28 C22 Mo2 119.3(16) . . no
C22 C23 C24 107(3) . . no
C22 C23 C26 116(4) . . no
C24 C23 C26 137(3) . . no
C22 C23 Mo2 69.2(13) . . no
C24 C23 Mo2 71.9(15) . . no
C26 C23 Mo2 122.1(18) . . no
C20 C24 C27 129(3) . . no
C20 C24 C23 109(3) . . no
C27 C24 C23 122(3) . . no
C20 C24 Mo2 73.9(13) . . no
C27 C24 Mo2 120(2) . . no
C23 C24 Mo2 72.6(14) . . no
O44 Ce4 O34 83.4(5) . . no
O44 Ce4 O11A 121.8(6) . . no
O34 Ce4 O11A 75.3(6) . . no
O44 Ce4 O11B 72.9(6) . . no
O34 Ce4 O11B 71.4(6) . . no
O11A Ce4 O11B 49.1(6) . . no
O44 Ce4 O14B 97.3(7) . . no
O34 Ce4 O14B 116.0(6) . . no
O11A Ce4 O14B 140.7(7) . . no
O11B Ce4 O14B 167.5(7) . . no
O44 Ce4 O13B 154.2(5) . . no
O34 Ce4 O13B 122.2(5) . . no
O11A Ce4 O13B 72.7(7) . . no
O11B Ce4 O13B 115.8(6) . . no
O14B Ce4 O13B 69.8(7) . . no
O44 Ce4 O13A 149.0(6) . . no
O34 Ce4 O13A 75.5(5) . . no
O11A Ce4 O13A 74.6(7) . . no
O11B Ce4 O13A 119.6(7) . . no
O14B Ce4 O13A 72.7(7) . . no
O13B Ce4 O13A 50.3(5) . . no
O44 Ce4 O14A 73.6(7) . . no
O34 Ce4 O14A 72.9(6) . . no
O11A Ce4 O14A 142.6(7) . . no
O11B Ce4 O14A 133.0(6) . . no
O14B Ce4 O14A 47.3(6) . . no
O13B Ce4 O14A 108.7(7) . . no
O13A Ce4 O14A 78.6(8) . . no
O44 Ce4 O12B 90.0(5) . . no
O34 Ce4 O12B 137.4(6) . . no
O11A Ce4 O12B 72.8(6) . . no
O11B Ce4 O12B 66.4(6) . . no
O14B Ce4 O12B 106.6(6) . . no
O13B Ce4 O12B 73.4(6) . . no
O13A Ce4 O12B 120.9(6) . . no
O14A Ce4 O12B 144.5(7) . . no
O44 Ce4 O12A 82.7(5) . . no
O34 Ce4 O12A 165.5(5) . . no
O11A Ce4 O12A 116.1(6) . . no
O11B Ce4 O12A 108.5(6) . . no
O14B Ce4 O12A 61.7(6) . . no
O13B Ce4 O12A 71.4(6) . . no
O13A Ce4 O12A 115.2(6) . . no
O14A Ce4 O12A 98.8(7) . . no
O12B Ce4 O12A 47.1(5) . . no
O35 Ce5 O45 84.1(5) . . no
O35 Ce5 O5WC 77.3(6) . . no
O45 Ce5 O5WC 72.0(6) . . no
O35 Ce5 O5WA 84.6(5) . . no
O45 Ce5 O5WA 146.5(6) . . no
O5WC Ce5 O5WA 135.1(7) . . no
O35 Ce5 O5WB 95.2(6) . . no
O45 Ce5 O5WB 140.0(6) . . no
O5WC Ce5 O5WB 68.9(6) . . no
O5WA Ce5 O5WB 72.4(6) . . no
O35 Ce5 O16A 153.0(6) . . no
O45 Ce5 O16A 81.9(5) . . no
O5WC Ce5 O16A 76.4(8) . . no
O5WA Ce5 O16A 119.0(6) . . no
O5WB Ce5 O16A 81.1(7) . . no
O35 Ce5 O16B 153.8(5) . . no
O45 Ce5 O16B 121.5(6) . . no
O5WC Ce5 O16B 113.6(6) . . no
O5WA Ce5 O16B 71.0(6) . . no
O5WB Ce5 O16B 69.2(6) . . no
O16A Ce5 O16B 48.3(6) . . no
O35 Ce5 O15A 70.7(5) . . no
O45 Ce5 O15A 73.4(5) . . no
O5WC Ce5 O15A 134.6(5) . . no
O5WA Ce5 O15A 73.1(5) . . no
O5WB Ce5 O15A 143.8(5) . . no
O16A Ce5 O15A 126.2(6) . . no
O16B Ce5 O15A 109.2(5) . . no
O35 Ce5 O15B 117.7(6) . . no
O45 Ce5 O15B 74.0(6) . . no
O5WC Ce5 O15B 141.0(6) . . no
O5WA Ce5 O15B 83.7(6) . . no
O5WB Ce5 O15B 137.3(5) . . no
O16A Ce5 O15B 80.3(7) . . no
O16B Ce5 O15B 69.7(6) . . no
O15A Ce5 O15B 47.4(5) . . no
O46 Ce6 O36 80.5(5) . . no
O46 Ce6 O6WB 71.3(5) . . no
O36 Ce6 O6WB 80.2(5) . . no
O46 Ce6 O6WA 144.9(5) . . no
O36 Ce6 O6WA 83.0(6) . . no
O6WB Ce6 O6WA 75.5(5) . . no
O46 Ce6 O18B 75.7(6) . . no
O36 Ce6 O18B 155.7(6) . . no
O6WB Ce6 O18B 87.4(6) . . no
O6WA Ce6 O18B 114.2(7) . . no
O46 Ce6 O17A 136.8(6) . . no
O36 Ce6 O17A 82.5(5) . . no
O6WB Ce6 O17A 143.1(6) . . no
O6WA Ce6 O17A 70.3(6) . . no
O18B Ce6 O17A 118.7(6) . . no
O46 Ce6 O17B 135.7(5) . . no
O36 Ce6 O17B 131.3(5) . . no
O6WB Ce6 O17B 134.6(6) . . no
O6WA Ce6 O17B 77.3(6) . . no
O18B Ce6 O17B 71.6(6) . . no
O17A Ce6 O17B 49.0(5) . . no
O46 Ce6 O18A 111.8(5) . . no
O36 Ce6 O18A 141.3(5) . . no
O6WB Ce6 O18A 70.5(5) . . no
O6WA Ce6 O18A 65.9(5) . . no
O18B Ce6 O18A 48.5(6) . . no
O17A Ce6 O18A 106.3(6) . . no
O17B Ce6 O18A 65.4(6) . . no
O46 Ce6 O15C 72.2(5) . . no
O36 Ce6 O15C 111.2(6) . . no
O6WB Ce6 O15C 139.1(5) . . no
O6WA Ce6 O15C 142.9(5) . . no
O18B Ce6 O15C 66.1(6) . . no
O17A Ce6 O15C 77.7(6) . . no
O17B Ce6 O15C 67.6(6) . . no
O18A Ce6 O15C 107.5(6) . . no
O46 Ce6 O15A 68.7(4) . . no
O36 Ce6 O15A 66.3(5) . . no
O6WB Ce6 O15A 130.9(5) . . no
O6WA Ce6 O15A 130.6(5) . . no
O18B Ce6 O15A 108.6(6) . . no
O17A Ce6 O15A 68.1(5) . . no
O17B Ce6 O15A 94.3(5) . . no
O18A Ce6 O15A 152.2(5) . . no
O15C Ce6 O15A 45.1(5) . . no
O36 Mo3 O35 107.0(7) . . no
O36 Mo3 O34 105.6(7) . . no
O35 Mo3 O34 106.3(7) . . no
O36 Mo3 C31 141.9(8) . . no
O35 Mo3 C31 99.4(9) . . no
O34 Mo3 C31 92.4(8) . . no
O36 Mo3 C32 119.2(13) . . no
O35 Mo3 C32 84.9(9) . . no
O34 Mo3 C32 128.3(11) . . no
C31 Mo3 C32 36.1(10) . . no
O36 Mo3 C30 114.7(8) . . no
O35 Mo3 C30 132.7(8) . . no
O34 Mo3 C30 83.5(7) . . no
C31 Mo3 C30 33.4(8) . . no
C32 Mo3 C30 56.1(8) . . no
O36 Mo3 C33 88.2(9) . . no
O35 Mo3 C33 106.0(10) . . no
O34 Mo3 C33 139.1(8) . . no
C31 Mo3 C33 57.9(9) . . no
C32 Mo3 C33 33.3(11) . . no
C30 Mo3 C33 56.1(8) . . no
O36 Mo3 C34 86.0(9) . . no
O35 Mo3 C34 137.3(7) . . no
O34 Mo3 C34 108.9(8) . . no
C31 Mo3 C34 56.2(10) . . no
C32 Mo3 C34 54.3(11) . . no
C30 Mo3 C34 33.9(8) . . no
C33 Mo3 C34 32.4(9) . . no
O46 Mo4 O45 106.0(7) . . no
O46 Mo4 O44 106.1(7) . . no
O45 Mo4 O44 106.2(8) . . no
O46 Mo4 C43 122.9(9) . . no
O45 Mo4 C43 83.3(8) . . no
O44 Mo4 C43 125.5(8) . . no
O46 Mo4 C42 141.7(9) . . no
O45 Mo4 C42 101.0(9) . . no
O44 Mo4 C42 91.6(8) . . no
C43 Mo4 C42 34.9(8) . . no
O46 Mo4 C44 91.2(9) . . no
O45 Mo4 C44 102.2(10) . . no
O44 Mo4 C44 140.8(7) . . no
C43 Mo4 C44 33.3(9) . . no
C42 Mo4 C44 56.5(9) . . no
O46 Mo4 C41 111.2(8) . . no
O45 Mo4 C41 136.1(8) . . no
O44 Mo4 C41 85.2(7) . . no
C43 Mo4 C41 57.3(8) . . no
C42 Mo4 C41 35.4(8) . . no
C44 Mo4 C41 55.5(8) . . no
O46 Mo4 C40 85.2(8) . . no
O45 Mo4 C40 136.2(8) . . no
O44 Mo4 C40 111.0(7) . . no
C43 Mo4 C40 56.5(9) . . no
C42 Mo4 C40 56.5(10) . . no
C44 Mo4 C40 34.3(8) . . no
C41 Mo4 C40 32.2(7) . . no
Mo3 O34 Ce4 159.1(8) . . no
Mo3 O35 Ce5 153.8(9) . . no
Mo3 O36 Ce6 158.2(8) . . no
Mo4 O44 Ce4 162.9(7) . . no
Mo4 O45 Ce5 152.3(9) . . no
Mo4 O46 Ce6 158.9(8) . . no
O11C N11A O11B 129(4) . . no
O11C N11A O11A 113(4) . . no
O11B N11A O11A 117(2) . . no
N11A O11A Ce4 94.0(19) . . no
N11A O11B Ce4 98(2) . . no
O12C N12A O12A 118(2) . . no
O12C N12A O12B 125(2) . . no
O12A N12A O12B 116.9(19) . . no
N12A O12A Ce4 96.4(13) . . no
N12A O12B Ce4 99.6(13) . . no
O13C N13A O13A 122(3) . . no
O13C N13A O13B 120(2) . . no
O13A N13A O13B 118(2) . . no
N13A O13A Ce4 95.6(15) . . no
N13A O13B Ce4 96.1(13) . . no
O14C N14A O14B 127(3) . . no
O14C N14A O14A 119(3) . . no
O14B N14A O14A 113(3) . . no
N14A O14A Ce4 98.1(16) . . no
N14A O14B Ce4 100.8(18) . . no
O15C N15A O15B 123(2) . . no
O15C N15A O15A 119(2) . . no
O15B N15A O15A 118(2) . . no
N15A O15A Ce5 97.8(13) . . no
N15A O15A Ce6 95.1(12) . . no
Ce5 O15A Ce6 150.5(6) . . no
N15A O15B Ce5 95.2(14) . . no
N15A O15C Ce6 99.0(13) . . no
O16C N16A O16A 126(3) . . no
O16C N16A O16B 120(3) . . no
O16A N16A O16B 114(2) . . no
N16A O16A Ce5 100.2(15) . . no
N16A O16B Ce5 97.4(14) . . no
O17C N17A O17A 124(3) . . no
O17C N17A O17B 119(3) . . no
O17A N17A O17B 117(2) . . no
N17A O17A Ce6 99.6(15) . . no
N17A O17B Ce6 94.5(15) . . no
O18C N18A O18A 121(3) . . no
O18C N18A O18B 127(2) . . no
O18A N18A O18B 112(2) . . no
N18A O18A Ce6 97.3(16) . . no
N18A O18B Ce6 102.3(15) . . no
C31 C30 C34 108(2) . . no
C31 C30 C35 127(3) . . no
C34 C30 C35 125(3) . . no
C31 C30 Mo3 70.9(13) . . no
C34 C30 Mo3 73.6(12) . . no
C35 C30 Mo3 121.8(16) . . no
C30 C31 C32 105(3) . . no
C30 C31 C36 127(3) . . no
C32 C31 C36 128(3) . . no
C30 C31 Mo3 75.7(14) . . no
C32 C31 Mo3 72.3(13) . . no
C36 C31 Mo3 119.7(15) . . no
C33 C32 C31 109(3) . . no
C33 C32 C37 140(3) . . no
C31 C32 C37 111(4) . . no
C33 C32 Mo3 75.1(16) . . no
C31 C32 Mo3 71.6(12) . . no
C37 C32 Mo3 117.4(18) . . no
C34 C33 C32 107(3) . . no
C34 C33 C38 132(4) . . no
C32 C33 C38 120(3) . . no
C34 C33 Mo3 74.7(14) . . no
C32 C33 Mo3 71.6(16) . . no
C38 C33 Mo3 120.5(18) . . no
C33 C34 C39 120(3) . . no
C33 C34 C30 110(3) . . no
C39 C34 C30 130(3) . . no
C33 C34 Mo3 72.9(16) . . no
C39 C34 Mo3 120.6(18) . . no
C30 C34 Mo3 72.4(12) . . no
C41 C40 C44 108(2) . . no
C41 C40 C45 129(2) . . no
C44 C40 C45 123(2) . . no
C41 C40 Mo4 72.5(13) . . no
C44 C40 Mo4 70.8(12) . . no
C45 C40 Mo4 121.6(17) . . no
C40 C41 C42 109(2) . . no
C40 C41 C46 126(2) . . no
C42 C41 C46 125(2) . . no
C40 C41 Mo4 75.3(12) . . no
C42 C41 Mo4 70.8(11) . . no
C46 C41 Mo4 119.7(14) . . no
C43 C42 C41 106(3) . . no
C43 C42 C47 127(3) . . no
C41 C42 C47 128(3) . . no
C43 C42 Mo4 72.3(12) . . no
C41 C42 Mo4 73.8(12) . . no
C47 C42 Mo4 118.2(17) . . no
C44 C43 C42 108(2) . . no
C44 C43 C48 128(3) . . no
C42 C43 C48 123(3) . . no
C44 C43 Mo4 74.4(13) . . no
C42 C43 Mo4 72.9(12) . . no
C48 C43 Mo4 119.9(15) . . no
C43 C44 C40 110(2) . . no
C43 C44 C49 125(3) . . no
C40 C44 C49 126(3) . . no
C43 C44 Mo4 72.3(13) . . no
C40 C44 Mo4 75.0(12) . . no
C49 C44 Mo4 119.9(16) . . no
C11T O11T C14T 112(3) . . no
O11T C11T C12T 98(3) . . no
C13T C12T C11T 109(4) . . no
C12T C13T C14T 110(5) . . no
O11T C14T C13T 103(4) . . no
C21T O21T C24T 111(2) . . no
O21T C21T C22T 103(3) . . no
C21T C22T C23T 110(4) . . no
C24T C23T C22T 107(4) . . no
C23T C24T O21T 108(4) . . no
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
Ce1 O21 2.371(13) . yes
Ce1 O11 2.382(14) . yes
Ce1 O1WA 2.500(15) . no
Ce1 O1WB 2.503(16) . no
Ce1 O1WC 2.533(16) . no
Ce1 O2A 2.559(19) . no
Ce1 O2B 2.62(2) . no
Ce1 O1A 2.671(14) . no
Ce1 O1B 2.687(17) . no
Ce1 Mo2 4.055(3) . yes
Ce2 O12 2.364(14) . yes
Ce2 O22 2.444(16) . yes
Ce2 O2WB 2.494(17) . no
Ce2 O2WA 2.564(16) . no
Ce2 O4A 2.587(18) . no
Ce2 O4B 2.600(16) . no
Ce2 O3B 2.66(2) . no
Ce2 O3A 2.664(17) . no
Ce2 O1A 2.779(13) . no
Ce2 O1C 2.859(17) . no
Ce3 O23 2.384(17) . yes
Ce3 O13 2.412(15) . yes
Ce3 O3WB 2.472(18) . no
Ce3 O3WA 2.480(18) . no
Ce3 O6B 2.57(2) . no
Ce3 O5B 2.56(2) . no
Ce3 O5A 2.605(19) . no
Ce3 O6B 2.65(2) 2_666 no
Ce3 O6A 2.722(19) . no
Mo1 O13 1.745(16) . yes
Mo1 O11 1.771(14) . yes
Mo1 O12 1.799(14) . yes
Mo1 C14 2.36(2) . no
Mo1 C13 2.40(2) . no
Mo1 C12 2.42(2) . no
Mo1 C11 2.43(2) . no
Mo1 C10 2.43(2) . no
Mo2 O22 1.721(17) . yes
Mo2 O21 1.772(14) . yes
Mo2 O23 1.773(17) . yes
Mo2 C22 2.37(2) . no
Mo2 C24 2.44(3) . no
Mo2 C21 2.44(2) . no
Mo2 C23 2.45(2) . no
Mo2 C20 2.463(19) . no
N1A O1C 1.21(2) . no
N1A O1B 1.26(2) . no
N1A O1A 1.29(2) . no
N2A O2C 1.18(3) . no
N2A O2B 1.22(3) . no
N2A O2A 1.27(3) . no
N3A O3C 1.18(3) . no
N3A O3A 1.24(3) . no
N3A O3B 1.25(3) . no
N4A O4C 1.20(3) . no
N4A O4B 1.27(3) . no
N4A O4A 1.27(2) . no
N5A O5C 1.25(3) . no
N5A O5B 1.29(3) . no
N5A O5A 1.32(3) . no
N6A O6C 1.18(4) . no
N6A O6B 1.27(5) 2_666 no
N6A O6A 1.31(3) . no
O6B N6A 1.27(5) 2_666 no
C10 C14 1.38(4) . no
C10 C11 1.43(4) . no
C10 C15 1.50(4) . no
C11 C12 1.40(3) . no
C11 C16 1.54(4) . no
C12 C13 1.27(4) . no
C12 C17 1.52(4) . no
C13 C14 1.45(4) . no
C13 C18 1.54(4) . no
C14 C19 1.57(4) . no
C20 C25 1.40(4) . no
C20 C24 1.43(4) . no
C20 C21 1.46(4) . no
C21 C22 1.49(4) . no
C21 C29 1.56(3) . no
C22 C23 1.47(4) . no
C22 C28 1.57(4) . no
C23 C24 1.49(4) . no
C23 C26 1.61(5) . no
C24 C27 1.46(4) . no
Ce4 O44 2.371(14) . yes
Ce4 O34 2.404(13) . yes
Ce4 O11A 2.523(17) . no
Ce4 O11B 2.51(3) . no
Ce4 O14B 2.57(2) . no
Ce4 O13B 2.563(16) . no
Ce4 O13A 2.596(18) . no
Ce4 O14A 2.60(2) . no
Ce4 O12B 2.634(16) . no
Ce4 O12A 2.693(14) . no
Ce5 O35 2.395(14) . yes
Ce5 O45 2.419(13) . yes
Ce5 O5WC 2.499(17) . no
Ce5 O5WA 2.498(16) . no
Ce5 O5WB 2.552(16) . no
Ce5 O16A 2.576(18) . no
Ce5 O16B 2.618(16) . no
Ce5 O15A 2.611(16) . no
Ce5 O15B 2.707(19) . no
Ce5 Mo3 4.041(3) . yes
Ce6 O46 2.464(15) . yes
Ce6 O36 2.467(16) . yes
Ce6 O6WB 2.488(13) . no
Ce6 O6WA 2.512(17) . no
Ce6 O18B 2.548(15) . no
Ce6 O17A 2.598(16) . no
Ce6 O17B 2.654(17) . no
Ce6 O18A 2.668(19) . no
Ce6 O15C 2.777(16) . no
Ce6 O15A 2.816(15) . no
Mo3 O36 1.734(16) . yes
Mo3 O35 1.751(15) . yes
Mo3 O34 1.749(14) . yes
Mo3 C31 2.38(2) . no
Mo3 C32 2.39(2) . no
Mo3 C30 2.44(2) . no
Mo3 C33 2.44(3) . no
Mo3 C34 2.46(2) . no
Mo4 O46 1.728(16) . yes
Mo4 O45 1.766(14) . yes
Mo4 O44 1.771(14) . yes
Mo4 C43 2.39(2) . no
Mo4 C42 2.39(2) . no
Mo4 C44 2.41(2) . no
Mo4 C41 2.434(18) . no
Mo4 C40 2.47(2) . no
N11A O11C 1.15(3) . no
N11A O11B 1.16(4) . no
N11A O11A 1.29(4) . no
N12A O12C 1.24(2) . no
N12A O12A 1.25(2) . no
N12A O12B 1.25(3) . no
N13A O13C 1.22(3) . no
N13A O13A 1.26(3) . no
N13A O13B 1.30(3) . no
N14A O14C 1.20(3) . no
N14A O14B 1.23(3) . no
N14A O14A 1.25(3) . no
N15A O15C 1.21(2) . no
N15A O15B 1.21(2) . no
N15A O15A 1.29(2) . no
N16A O16C 1.20(3) . no
N16A O16A 1.26(3) . no
N16A O16B 1.28(3) . no
N17A O17C 1.22(2) . no
N17A O17A 1.23(3) . no
N17A O17B 1.32(3) . no
N18A O18C 1.18(3) . no
N18A O18A 1.28(3) . no
N18A O18B 1.31(3) . no
C30 C31 1.39(3) . no
C30 C34 1.43(3) . no
C30 C35 1.54(3) . no
C31 C32 1.48(4) . no
C31 C36 1.67(4) . no
C32 C33 1.38(5) . no
C32 C37 1.67(5) . no
C33 C34 1.37(4) . no
C33 C38 1.49(4) . no
C34 C39 1.42(4) . no
C40 C41 1.36(3) . no
C40 C44 1.44(3) . no
C40 C45 1.45(3) . no
C41 C42 1.47(3) . no
C41 C46 1.53(3) . no
C42 C43 1.43(3) . no
C42 C47 1.58(4) . no
C43 C44 1.37(4) . no
C43 C48 1.54(3) . no
C44 C49 1.52(4) . no
O11T C11T 1.43(3) . no
O11T C14T 1.43(4) . no
C11T C12T 1.57(5) . no
C12T C13T 1.36(8) . no
C13T C14T 1.48(9) . no
O21T C21T 1.48(4) . no
O21T C24T 1.51(4) . no
C21T C22T 1.46(6) . no
C22T C23T 1.55(6) . no
C23T C24T 1.40(6) . no
