#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:21:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180134 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/32/7103218.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_7103218
loop_
_publ_author_name
'Yi, Xiao-Yi'
'Y Sung, Herman H'
'Williams, Ian D'
'Leung, Wa-Hung'
_publ_section_title
;
 Cerium(IV)-containing oxomolybdenum cluster with a unique Ce6Mo9O38
 core structure.
;
_journal_issue                   28
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3269
_journal_page_last               3271
_journal_paper_doi               10.1039/b800176f
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_formula_sum            'C35 H72 Ce Cl2 Co2 Cr2 O25 P6'
_chemical_formula_weight         1511.63
_chemical_name_systematic
;
?
;
_space_group_IT_number           178
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61 2 (0 0 5)'
_symmetry_space_group_name_H-M   'P 61 2 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   11.9773(8)
_cell_length_b                   11.9773(8)
_cell_length_c                   71.426(9)
_cell_measurement_reflns_used    3211
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.27
_cell_volume                     8873.7(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.896
_diffrn_measured_fraction_theta_max 0.896
_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  0.1367
_diffrn_reflns_av_sigmaI/netI    0.1123
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       84
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            27500
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.985
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4596
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.088
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(3)
_refine_ls_extinction_coef       0.0323(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         4732
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0643
_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)+(0.0580P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1274
_reflns_number_gt                3817
_reflns_number_total             4732
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b800176f.txt
_cod_data_source_block           yxy86
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P6(1)22
_cod_database_code               7103218
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'-x, -y, z+1/2'
'y, -x+y, z+5/6'
'x-y, x, z+1/6'
'y, x, -z+1/3'
'x-y, -y, -z'
'-x, -x+y, -z+2/3'
'-y, -x, -z+5/6'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/6'
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
Ce1 Ce 0.30206(3) 0.60411(7) 0.7500 0.0306(3) Uani 1 2 d S . .
Co1 Co 0.43997(12) 0.73740(11) 0.806822(18) 0.0368(4) Uani 1 1 d . . .
Cr1 Cr 0.2627(2) 0.27721(17) 0.74168(3) 0.0660(7) Uani 1 1 d U . .
P1 P 0.2701(3) 0.7249(3) 0.79468(3) 0.0416(6) Uani 1 1 d . B .
P2 P 0.5452(3) 0.8294(2) 0.78145(4) 0.0428(7) Uani 1 1 d D B .
P3 P 0.3943(2) 0.5514(2) 0.79579(3) 0.0351(6) Uani 1 1 d . B .
O1 O 0.1407(7) 0.6343(9) 0.80672(11) 0.069(3) Uani 1 1 d . . .
O2 O 0.2818(10) 0.8623(8) 0.79801(11) 0.068(2) Uani 1 1 d . . .
O3 O 0.5637(11) 0.9692(7) 0.78035(15) 0.100(4) Uani 1 1 d DU . .
O4 O 0.6872(7) 0.8532(8) 0.78359(10) 0.062(2) Uani 1 1 d . . .
O5 O 0.5225(7) 0.5415(8) 0.79586(11) 0.056(2) Uani 1 1 d . . .
O6 O 0.3025(8) 0.4454(6) 0.81006(9) 0.0473(18) Uani 1 1 d . . .
O7 O 0.2342(7) 0.6822(6) 0.77410(8) 0.0381(15) Uani 1 1 d . . .
O8 O 0.4899(6) 0.7644(6) 0.76275(9) 0.0387(16) Uani 1 1 d . . .
O9 O 0.3349(6) 0.5148(6) 0.77703(9) 0.0402(17) Uani 1 1 d . . .
O10 O 0.3360(9) 0.4354(7) 0.74155(10) 0.058(2) Uani 1 1 d U A .
O11 O 0.290(2) 0.2073(17) 0.7560(2) 0.067(5) Uiso 0.50 1 d PU A 1
O11A O 0.3745(17) 0.2394(16) 0.7518(2) 0.061(4) Uiso 0.50 1 d P A 2
O12 O 0.2566(12) 0.2226(8) 0.72176(14) 0.096(4) Uani 1 1 d U A .
O13 O 0.1365(18) 0.2158(17) 0.7578(2) 0.039(4) Uiso 0.35 1 d P . 1
O13A O 0.206(5) 0.197(5) 0.7582(7) 0.048(12) Uiso 0.15 1 d P A 2
C1 C 0.5281(15) 0.7136(15) 0.82909(15) 0.070(3) Uani 1 1 d DU . .
H1A H 0.5609 0.6515 0.8298 0.084 Uiso 1 1 calc R . .
C2 C 0.4064(14) 0.6875(13) 0.83467(14) 0.079(3) Uani 1 1 d DU . .
H2A H 0.3358 0.6060 0.8402 0.095 Uiso 1 1 calc R . .
C3 C 0.4080(14) 0.8061(12) 0.83177(15) 0.065(3) Uani 1 1 d DU . .
H3A H 0.3372 0.8249 0.8346 0.078 Uiso 1 1 calc R . .
C4 C 0.5271(13) 0.8891(13) 0.82456(17) 0.064(3) Uani 1 1 d DU . .
H4A H 0.5558 0.9801 0.8209 0.077 Uiso 1 1 calc R . .
C5 C 0.5987(13) 0.8389(14) 0.82369(18) 0.069(3) Uani 1 1 d DU . .
H5A H 0.6907 0.8835 0.8195 0.082 Uiso 1 1 calc R . .
C11 C 0.063(2) 0.495(3) 0.8037(4) 0.059(8) Uiso 0.60 1 d PDU B 1
H11A H 0.0814 0.4494 0.8138 0.070 Uiso 0.60 1 calc PR B 1
H11B H 0.0873 0.4724 0.7916 0.070 Uiso 0.60 1 calc PR B 1
C12 C -0.079(2) 0.448(3) 0.8036(4) 0.103(9) Uiso 0.60 1 d PDU B 1
H12A H -0.1271 0.3567 0.8003 0.154 Uiso 0.60 1 calc PR B 1
H12B H -0.0974 0.4977 0.7943 0.154 Uiso 0.60 1 calc PR B 1
H12C H -0.1061 0.4608 0.8160 0.154 Uiso 0.60 1 calc PR B 1
C11A C 0.057(2) 0.522(3) 0.8012(4) 0.030(8) Uiso 0.40 1 d PD B 2
H11C H 0.0275 0.4647 0.8123 0.036 Uiso 0.40 1 calc PR B 2
H11D H 0.1015 0.4899 0.7929 0.036 Uiso 0.40 1 calc PR B 2
C12A C -0.061(3) 0.503(4) 0.7911(6) 0.095(12) Uiso 0.40 1 d PDU B 2
H12D H -0.0979 0.4229 0.7838 0.143 Uiso 0.40 1 calc PR B 2
H12E H -0.0370 0.5759 0.7826 0.143 Uiso 0.40 1 calc PR B 2
H12F H -0.1244 0.4979 0.8002 0.143 Uiso 0.40 1 calc PR B 2
C13 C 0.2117(13) 0.9003(11) 0.78709(19) 0.067(3) Uani 1 1 d DU B .
H13A H 0.2246 0.8913 0.7736 0.081 Uiso 0.50 1 d PR C 1
H13B H 0.1193 0.8445 0.7902 0.081 Uiso 0.50 1 d PR C 1
H13C H 0.1277 0.8652 0.7926 0.081 Uiso 0.50 1 d PR C 2
H13D H 0.2018 0.8635 0.7748 0.081 Uiso 0.50 1 d PR C 2
C14 C 0.2410(16) 1.0324(12) 0.7932(2) 0.048(4) Uiso 0.78 1 d PD B 1
H14A H 0.2197 1.0736 0.7830 0.072 Uiso 0.78 1 calc PR B 1
H14B H 0.3328 1.0847 0.7962 0.072 Uiso 0.78 1 calc PR B 1
H14C H 0.1895 1.0250 0.8043 0.072 Uiso 0.78 1 calc PR B 1
C14A C 0.274(5) 1.044(2) 0.7866(9) 0.051(15) Uiso 0.22 1 d PD B 2
H14D H 0.2083 1.0693 0.7877 0.077 Uiso 0.22 1 calc PR B 2
H14E H 0.3209 1.0766 0.7748 0.077 Uiso 0.22 1 calc PR B 2
H14F H 0.3352 1.0811 0.7971 0.077 Uiso 0.22 1 calc PR B 2
C15 C 0.568(3) 1.0505(16) 0.7663(3) 0.078(7) Uiso 0.55 1 d PDU D 1
H15A H 0.4809 1.0209 0.7612 0.093 Uiso 0.55 1 calc PR D 1
H15B H 0.6249 1.0539 0.7560 0.093 Uiso 0.55 1 calc PR D 1
C15A C 0.608(4) 1.069(3) 0.7864(5) 0.096(11) Uiso 0.45 1 d PD D 2
H15C H 0.6958 1.0914 0.7907 0.116 Uiso 0.45 1 calc PR D 2
H15D H 0.5582 1.0620 0.7978 0.116 Uiso 0.45 1 calc PR D 2
C16 C 0.622(2) 1.1818(13) 0.7755(3) 0.120(7) Uani 1 1 d DU . .
H16A H 0.6372 1.2466 0.7659 0.180 Uiso 0.55 1 calc PR D 1
H16B H 0.7029 1.2045 0.7818 0.180 Uiso 0.55 1 calc PR D 1
H16C H 0.5595 1.1791 0.7846 0.180 Uiso 0.55 1 calc PR D 1
H16D H 0.6637 1.2595 0.7833 0.180 Uiso 0.45 1 calc PR D 2
H16E H 0.5362 1.1656 0.7717 0.180 Uiso 0.45 1 calc PR D 2
H16F H 0.6740 1.1942 0.7643 0.180 Uiso 0.45 1 calc PR D 2
C17 C 0.7805(10) 0.8974(14) 0.76720(19) 0.069(4) Uani 1 1 d D D .
H17A H 0.7541 0.8286 0.7577 0.083 Uiso 1 1 calc R . .
H17B H 0.7883 0.9755 0.7612 0.083 Uiso 1 1 calc R . .
C18 C 0.9030(11) 0.9252(15) 0.77670(19) 0.082(5) Uani 1 1 d D . .
H18A H 0.9730 0.9581 0.7675 0.123 Uiso 1 1 calc R D .
H18B H 0.8924 0.8459 0.7823 0.123 Uiso 1 1 calc R . .
H18C H 0.9238 0.9900 0.7865 0.123 Uiso 1 1 calc R . .
C19 C 0.5404(14) 0.4576(14) 0.78432(19) 0.068(3) Uani 1 1 d U . .
H19A H 0.4572 0.3955 0.7784 0.081 Uiso 1 1 calc R . .
H19B H 0.5696 0.4081 0.7920 0.081 Uiso 1 1 calc R . .
C20 C 0.6397(19) 0.5308(19) 0.7691(3) 0.116(6) Uani 1 1 d U . .
H20A H 0.6508 0.4697 0.7613 0.174 Uiso 1 1 calc R . .
H20B H 0.7222 0.5918 0.7749 0.174 Uiso 1 1 calc R . .
H20C H 0.6098 0.5780 0.7613 0.174 Uiso 1 1 calc R . .
C21 C 0.2426(11) 0.3120(10) 0.80520(18) 0.059(3) Uani 1 1 d . . .
H21A H 0.3060 0.2820 0.8057 0.070 Uiso 1 1 calc R . .
H21B H 0.2063 0.2977 0.7924 0.070 Uiso 1 1 calc R . .
C22 C 0.1292(13) 0.2355(11) 0.82037(18) 0.073(4) Uani 1 1 d . . .
H22A H 0.0867 0.1427 0.8179 0.110 Uiso 1 1 calc R . .
H22B H 0.0659 0.2644 0.8194 0.110 Uiso 1 1 calc R . .
H22C H 0.1662 0.2530 0.8330 0.110 Uiso 1 1 calc R . .
C1S C 1.0000 0.7535(12) 0.8333 0.054(4) Uani 1 2 d SD . .
H1SA H 1.0413 0.7270 0.8243 0.064 Uiso 1 1 d R . .
Cl1 Cl 0.8864(7) 0.7764(7) 0.82190(7) 0.157(3) Uani 1 1 d 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O8 Ce1 O8 87.0(3) 11_556 . ?
O8 Ce1 O7 74.2(2) 11_556 . ?
O8 Ce1 O7 76.1(2) . . ?
O8 Ce1 O7 76.1(2) 11_556 11_556 ?
O8 Ce1 O7 74.2(2) . 11_556 ?
O7 Ce1 O7 138.6(3) . 11_556 ?
O8 Ce1 O10 107.8(3) 11_556 11_556 ?
O8 Ce1 O10 141.6(2) . 11_556 ?
O7 Ce1 O10 74.4(3) . 11_556 ?
O7 Ce1 O10 143.0(2) 11_556 11_556 ?
O8 Ce1 O10 141.6(2) 11_556 . ?
O8 Ce1 O10 107.8(3) . . ?
O7 Ce1 O10 143.0(2) . . ?
O7 Ce1 O10 74.4(3) 11_556 . ?
O10 Ce1 O10 82.7(4) 11_556 . ?
O8 Ce1 O9 74.7(2) 11_556 11_556 ?
O8 Ce1 O9 147.2(2) . 11_556 ?
O7 Ce1 O9 122.6(2) . 11_556 ?
O7 Ce1 O9 75.0(2) 11_556 11_556 ?
O10 Ce1 O9 71.0(2) 11_556 11_556 ?
O10 Ce1 O9 74.3(3) . 11_556 ?
O8 Ce1 O9 147.2(2) 11_556 . ?
O8 Ce1 O9 74.7(2) . . ?
O7 Ce1 O9 75.0(2) . . ?
O7 Ce1 O9 122.6(2) 11_556 . ?
O10 Ce1 O9 74.3(3) 11_556 . ?
O10 Ce1 O9 71.0(2) . . ?
O9 Ce1 O9 133.2(3) 11_556 . ?
C1 Co1 C4 63.9(6) . . ?
C1 Co1 C5 39.1(6) . . ?
C4 Co1 C5 36.3(5) . . ?
C1 Co1 C2 39.9(5) . . ?
C4 Co1 C2 66.0(6) . . ?
C5 Co1 C2 66.1(6) . . ?
C1 Co1 C3 65.9(5) . . ?
C4 Co1 C3 38.9(5) . . ?
C5 Co1 C3 64.1(6) . . ?
C2 Co1 C3 40.3(4) . . ?
C1 Co1 P1 149.1(5) . . ?
C4 Co1 P1 111.1(4) . . ?
C5 Co1 P1 147.3(4) . . ?
C2 Co1 P1 109.2(4) . . ?
C3 Co1 P1 91.0(4) . . ?
C1 Co1 P3 91.3(4) . . ?
C4 Co1 P3 154.8(4) . . ?
C5 Co1 P3 120.4(4) . . ?
C2 Co1 P3 98.1(4) . . ?
C3 Co1 P3 136.0(4) . . ?
P1 Co1 P3 92.19(10) . . ?
C1 Co1 P2 121.4(5) . . ?
C4 Co1 P2 99.2(4) . . ?
C5 Co1 P2 93.4(4) . . ?
C2 Co1 P2 159.3(4) . . ?
C3 Co1 P2 133.8(4) . . ?
P1 Co1 P2 89.30(12) . . ?
P3 Co1 P2 90.12(11) . . ?
O13A Cr1 O11 39(2) . . ?
O13A Cr1 O12 124(2) . . ?
O11 Cr1 O12 112.3(8) . . ?
O13A Cr1 O10 125(2) . . ?
O11 Cr1 O10 121.5(8) . . ?
O12 Cr1 O10 111.5(5) . . ?
O11 Cr1 O13 71.9(9) . . ?
O12 Cr1 O13 125.4(8) . . ?
O10 Cr1 O13 109.9(7) . . ?
O13A Cr1 O11A 70(2) . . ?
O12 Cr1 O11A 98.6(7) . . ?
O10 Cr1 O11A 105.2(7) . . ?
O13 Cr1 O11A 103.3(8) . . ?
O13A Cr1 O13 70(2) . 11_556 ?
O11 Cr1 O13 107.7(10) . 11_556 ?
O12 Cr1 O13 93.0(7) . 11_556 ?
O10 Cr1 O13 106.8(6) . 11_556 ?
O13 Cr1 O13 41.2(10) . 11_556 ?
O11A Cr1 O13 139.0(8) . 11_556 ?
O7 P1 O2 110.4(4) . . ?
O7 P1 O1 105.5(4) . . ?
O2 P1 O1 99.9(5) . . ?
O7 P1 Co1 120.3(3) . . ?
O2 P1 Co1 106.0(4) . . ?
O1 P1 Co1 112.8(3) . . ?
O8 P2 O3 107.1(5) . . ?
O8 P2 O4 109.3(4) . . ?
O3 P2 O4 104.2(6) . . ?
O8 P2 Co1 118.7(3) . . ?
O3 P2 Co1 108.6(4) . . ?
O4 P2 Co1 108.1(3) . . ?
O9 P3 O6 108.1(4) . . ?
O9 P3 O5 108.6(4) . . ?
O6 P3 O5 104.4(4) . . ?
O9 P3 Co1 118.2(3) . . ?
O6 P3 Co1 108.1(3) . . ?
O5 P3 Co1 108.6(3) . . ?
C11A O1 P1 121.7(14) . . ?
C11 O1 P1 122.4(11) . . ?
C13 O2 P1 120.1(8) . . ?
C15A O3 C15 72.7(18) . . ?
C15A O3 P2 148.1(18) . . ?
C15 O3 P2 136.1(11) . . ?
C17 O4 P2 121.7(6) . . ?
C19 O5 P3 123.4(8) . . ?
C21 O6 P3 120.3(7) . . ?
P1 O7 Ce1 138.8(4) . . ?
P2 O8 Ce1 140.5(4) . . ?
P3 O9 Ce1 141.3(4) . . ?
Cr1 O10 Ce1 140.7(5) . . ?
O13 O13 Cr1 77.4(15) 11_556 . ?
O13 O13 Cr1 61.4(14) 11_556 11_556 ?
Cr1 O13 Cr1 120.8(10) . 11_556 ?
C5 C1 C2 109.4(13) . . ?
C5 C1 Co1 72.5(7) . . ?
C2 C1 Co1 72.0(7) . . ?
C1 C2 C3 104.2(13) . . ?
C1 C2 Co1 68.1(7) . . ?
C3 C2 Co1 70.5(6) . . ?
C4 C3 C2 105.6(13) . . ?
C4 C3 Co1 68.5(7) . . ?
C2 C3 Co1 69.1(6) . . ?
C5 C4 C3 112.3(15) . . ?
C5 C4 Co1 73.2(8) . . ?
C3 C4 Co1 72.6(7) . . ?
C4 C5 C1 108.3(15) . . ?
C4 C5 Co1 70.5(8) . . ?
C1 C5 Co1 68.5(7) . . ?
O1 C11 C12 112(2) . . ?
O1 C11A C12A 119(3) . . ?
O2 C13 C14A 111(2) . . ?
O2 C13 C14 108.9(11) . . ?
O3 C15 C16 105.3(14) . . ?
O3 C15A C16 122(3) . . ?
C18 C17 O4 101.4(9) . . ?
O5 C19 C20 111.3(13) . . ?
O6 C21 C22 106.4(9) . . ?
Cl1 C1S Cl1 112.7(10) . 9_766 ?
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 O8 2.293(6) 11_556 ?
Ce1 O8 2.293(6) . ?
Ce1 O7 2.293(6) . ?
Ce1 O7 2.293(6) 11_556 ?
Ce1 O10 2.332(7) 11_556 ?
Ce1 O10 2.332(7) . ?
Ce1 O9 2.334(6) 11_556 ?
Ce1 O9 2.334(6) . ?
Co1 C1 2.007(11) . ?
Co1 C4 2.025(12) . ?
Co1 C5 2.057(12) . ?
Co1 C2 2.058(11) . ?
Co1 C3 2.077(11) . ?
Co1 P1 2.147(3) . ?
Co1 P3 2.160(3) . ?
Co1 P2 2.167(3) . ?
Cr1 O13A 1.46(5) . ?
Cr1 O11 1.459(18) . ?
Cr1 O12 1.552(10) . ?
Cr1 O10 1.642(7) . ?
Cr1 O13 1.743(19) . ?
Cr1 O11A 1.767(18) . ?
Cr1 O13 1.94(2) 11_556 ?
P1 O7 1.545(6) . ?
P1 O2 1.599(8) . ?
P1 O1 1.624(9) . ?
P2 O8 1.521(7) . ?
P2 O3 1.578(9) . ?
P2 O4 1.585(8) . ?
P3 O9 1.478(7) . ?
P3 O6 1.569(8) . ?
P3 O5 1.597(7) . ?
O1 C11A 1.28(3) . ?
O1 C11 1.47(3) . ?
O2 C13 1.379(14) . ?
O3 C15A 1.12(4) . ?
O3 C15 1.380(15) . ?
O4 C17 1.519(14) . ?
O5 C19 1.398(14) . ?
O6 C21 1.429(12) . ?
O13 O13 1.31(4) 11_556 ?
O13 Cr1 1.938(19) 11_556 ?
C1 C5 1.36(2) . ?
C1 C2 1.388(19) . ?
C2 C3 1.426(14) . ?
C3 C4 1.367(19) . ?
C4 C5 1.272(16) . ?
C11 C12 1.503(18) . ?
C11A C12A 1.500(19) . ?
C13 C14A 1.50(2) . ?
C13 C14 1.503(14) . ?
C15 C16 1.518(16) . ?
C15A C16 1.503(19) . ?
C17 C18 1.495(13) . ?
C19 C20 1.53(2) . ?
C21 C22 1.616(16) . ?
C1S Cl1 1.722(9) . ?
C1S Cl1 1.722(9) 9_766 ?
