#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/94/2219463.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2219463
loop_
_publ_author_name
'McLauchlan, Craig C.'
'Anderson, Alexander E.'
_publ_section_title
;Bis{[(η⁵)-cyclopentadienyl]tris(diethyl
 phosphito-κ³P,P',P'')cobaltate(III)-κ³O,O',O'']oxovanadium(IV)}-μ-oxalate
;
_journal_coeditor_code           WW2126
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1129
_journal_page_last               m1130
_journal_paper_doi               10.1107/S1600536808024458
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Co2 V2 (C5 H5)2 (C2 O4) (C4 H10 O3 P)6 O2]'
_chemical_formula_moiety         'C36 H70 Co2 O24 P6 V2'
_chemical_formula_sum            'C36 H70 Co2 O24 P6 V2'
_chemical_formula_weight         1292.48
_chemical_name_systematic
;
Bis[1,4(η⁵)-cyclopentadienyl]hexakis(μ-diethyl
phosphito)-1:2κ⁶P:O;3:4κ⁶O:P-μ-oxalato-2:3κ⁴O¹,O²:O^1'^,O^2'^-
dioxido-2\kO,3\kO-1,4-dicobalt(III)-2,3-divanadium(IV)
;
_chemical_temperature_decomposition 473.0(10)
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.412(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.364(5)
_cell_length_b                   10.9825(18)
_cell_length_c                   19.976(3)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      63.469
_cell_measurement_theta_min      5.007
_cell_volume                     5524.0(16)
_computing_cell_refinement       'APEX2 (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'APEX2 (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       ω
_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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26145
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.167
_exptl_absorpt_correction_T_max  .932
_exptl_absorpt_correction_T_min  .682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(APEX2; Bruker, 2008)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          .630
_exptl_crystal_size_mid          .330
_exptl_crystal_size_min          .060
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.446
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         6845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0404
_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)+(0.0479P)²+16.0571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1091
_reflns_number_gt                5617
_reflns_number_total             6845
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ww2126.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been 'dec.
473(1)'. The value 'dec. 473(1)' was changed to '473.0(10)'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been 'dec.
473(1)'. The value 'dec. 473(1)' was changed to '473.0(10)'.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2219463
_cod_database_fobs_code          2219463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
V V1 0.028671(16) 0.78146(4) 0.13941(2) 0.02455(10) Uani d . 1
Co Co1 0.176050(13) 0.74072(3) 0.16646(2) 0.02774(10) Uani d . 1
P P1 0.11499(3) 0.60266(6) 0.12884(4) 0.02764(14) Uani d . 1
P P2 0.15939(3) 0.78092(6) 0.26021(4) 0.02754(14) Uani d . 1
P P3 0.11777(3) 0.87517(6) 0.09797(4) 0.02816(15) Uani d . 1
O O1 0.00650(7) 0.66231(15) 0.19874(10) 0.0286(4) Uani d . 1
O O2 0.01090(7) 0.90562(15) 0.20266(10) 0.0275(4) Uani d . 1
C C1 0.0000 0.7134(3) 0.2500 0.0245(7) Uani d S 1
C C2 0.0000 0.8544(3) 0.2500 0.0248(7) Uani d S 1
O O3 -0.02642(8) 0.79215(18) 0.06448(11) 0.0379(4) Uani d . 1
O O1P 0.05862(7) 0.64296(16) 0.10672(11) 0.0309(4) Uani d . 1
O O1A 0.13253(8) 0.50150(17) 0.19333(11) 0.0375(4) Uani d . 1
O O2A 0.11265(8) 0.5267(2) 0.05926(12) 0.0428(5) Uani d . 1
C C1A 0.09433(16) 0.4095(3) 0.1891(2) 0.0563(9) Uani d . 1
H H1AA 0.0580 0.4430 0.1613 0.068 Uiso calc R 1
H H1AB 0.0970 0.3382 0.1606 0.068 Uiso calc R 1
C C2A 0.1032(2) 0.3716(6) 0.2616(3) 0.105(2) Uani d . 1
H H2AA 0.0772 0.3089 0.2567 0.157 Uiso calc R 1
H H2AB 0.0994 0.4415 0.2893 0.157 Uiso calc R 1
H H2AC 0.1392 0.3383 0.2892 0.157 Uiso calc R 1
C C3A 0.06647(12) 0.5172(3) -0.01328(17) 0.0377(6) Uani d . 1
H H3AA 0.0420 0.5859 -0.0204 0.045 Uiso calc R 1
H H3AB 0.0474 0.4402 -0.0163 0.045 Uiso calc R 1
C C4A 0.08407(16) 0.5198(4) -0.0731(2) 0.0567(9) Uani d . 1
H H4AA 0.0530 0.5145 -0.1228 0.085 Uiso calc R 1
H H4AB 0.1077 0.4506 -0.0663 0.085 Uiso calc R 1
H H4AC 0.1031 0.5960 -0.0695 0.085 Uiso calc R 1
O O2P 0.10274(7) 0.76760(15) 0.24648(10) 0.0273(4) Uani d . 1
O O1B 0.18059(8) 0.91352(19) 0.29463(14) 0.0444(5) Uani d . 1
O O2B 0.19748(8) 0.6950(2) 0.32940(11) 0.0397(5) Uani d . 1
C C1B 0.14588(12) 1.0097(3) 0.29536(18) 0.0403(6) Uani d . 1
H H1BA 0.1091 0.9928 0.2566 0.048 Uiso calc R 1
H H1BB 0.1570 1.0881 0.2826 0.048 Uiso calc R 1
C C2B 0.1473(2) 1.0196(5) 0.3698(3) 0.0848(15) Uani d . 1
H H2BA 0.1262 1.0900 0.3702 0.127 Uiso calc R 1
H H2BB 0.1841 1.0301 0.4087 0.127 Uiso calc R 1
H H2BC 0.1325 0.9454 0.3800 0.127 Uiso calc R 1
C C3B 0.18998(16) 0.6875(4) 0.3955(2) 0.0542(9) Uani d . 1
H H3BA 0.1516 0.6810 0.3806 0.065 Uiso calc R 1
H H3BB 0.2038 0.7621 0.4261 0.065 Uiso calc R 1
C C4B 0.21855(14) 0.5785(3) 0.4410(2) 0.0535(8) Uani d . 1
H H4BA 0.2162 0.5779 0.4884 0.080 Uiso calc R 1
H H4BB 0.2559 0.5818 0.4519 0.080 Uiso calc R 1
H H4BC 0.2022 0.5043 0.4124 0.080 Uiso calc R 1
O O3P 0.07192(7) 0.90314(15) 0.11549(10) 0.0287(4) Uani d . 1
O O1C 0.09368(8) 0.83591(19) 0.01116(11) 0.0396(5) Uani d . 1
O O2C 0.14763(8) 1.00128(18) 0.10399(14) 0.0469(6) Uani d . 1
C C1C 0.04967(13) 0.9052(3) -0.04630(17) 0.0448(7) Uani d . 1
H H1CA 0.0637 0.9746 -0.0633 0.054 Uiso calc R 1
H H1CB 0.0270 0.9378 -0.0248 0.054 Uiso calc R 1
C C2C 0.01791(18) 0.8257(3) -0.1108(2) 0.0791(15) Uani d . 1
H H2CA -0.0109 0.8730 -0.1500 0.119 Uiso calc R 1
H H2CB 0.0028 0.7590 -0.0942 0.119 Uiso calc R 1
H H2CC 0.0406 0.7921 -0.1312 0.119 Uiso calc R 1
C C3C 0.12391(11) 1.1198(2) 0.09617(17) 0.0337(6) Uani d . 1
H H3CA 0.1295 1.1500 0.1460 0.040 Uiso calc R 1
H H3CB 0.0852 1.1152 0.0624 0.040 Uiso calc R 1
C C4C 0.14959(12) 1.2044(3) 0.0636(2) 0.0435(7) Uani d . 1
H H4CA 0.1356 1.2869 0.0607 0.065 Uiso calc R 1
H H4CB 0.1419 1.1767 0.0129 0.065 Uiso calc R 1
H H4CC 0.1881 1.2048 0.0959 0.065 Uiso calc R 1
C C32 0.24880(11) 0.6532(3) 0.22456(19) 0.0429(7) Uani d . 1
H H32 0.2576 0.5990 0.2656 0.051 Uiso calc R 1
C C33 0.25670(12) 0.7796(3) 0.2303(2) 0.0523(9) Uani d . 1
H H33 0.2718 0.8255 0.2757 0.063 Uiso calc R 1
C C34 0.23856(15) 0.8257(4) 0.1582(3) 0.0677(13) Uani d . 1
H H34 0.2394 0.9088 0.1455 0.081 Uiso calc R 1
C C35 0.21853(15) 0.7274(5) 0.1062(2) 0.0696(13) Uani d . 1
H H35 0.2030 0.7329 0.0529 0.084 Uiso calc R 1
C C36 0.22599(12) 0.6204(3) 0.1488(2) 0.0512(8) Uani d . 1
H H36 0.2170 0.5401 0.1293 0.061 Uiso calc R 1
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'
V V 0.3005 0.5294 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 V1 O1P . . 97.46(9) y
O3 V1 O3P . . 99.73(9) y
O1P V1 O3P . . 91.75(7) y
O3 V1 O1 . . 99.26(9) y
O1P V1 O1 . . 89.59(7) y
O3P V1 O1 . . 160.61(8) y
O3 V1 O2 . . 96.64(9) y
O1P V1 O2 . . 164.10(8) y
O3P V1 O2 . . 93.07(7) y
O1 V1 O2 . . 80.91(7) y
O3 V1 O2P . . 177.13(9) y
O1P V1 O2P . . 84.59(7) y
O3P V1 O2P . . 82.17(7) y
O1 V1 O2P . . 78.71(7) y
O2 V1 O2P . . 81.07(7) y
C35 Co1 C34 . . 40.17(18) ?
C35 Co1 C32 . . 66.22(14) ?
C34 Co1 C32 . . 65.66(14) ?
C35 Co1 C36 . . 39.74(16) ?
C34 Co1 C36 . . 66.39(15) ?
C32 Co1 C36 . . 39.06(14) ?
C35 Co1 C33 . . 66.45(17) ?
C34 Co1 C33 . . 38.81(17) ?
C32 Co1 C33 . . 39.33(13) ?
C36 Co1 C33 . . 66.01(14) ?
C35 Co1 P1 . . 109.73(16) ?
C34 Co1 P1 . . 149.89(15) ?
C32 Co1 P1 . . 107.49(9) ?
C36 Co1 P1 . . 89.69(10) ?
C33 Co1 P1 . . 146.52(10) ?
C35 Co1 P3 . . 99.24(11) ?
C34 Co1 P3 . . 94.27(10) ?
C32 Co1 P3 . . 159.92(9) ?
C36 Co1 P3 . . 134.90(11) ?
C33 Co1 P3 . . 123.29(10) ?
P1 Co1 P3 . . 90.13(3) ?
C35 Co1 P2 . . 158.80(14) ?
C34 Co1 P2 . . 120.59(15) ?
C32 Co1 P2 . . 99.57(10) ?
C36 Co1 P2 . . 135.08(11) ?
C33 Co1 P2 . . 92.52(11) ?
P1 Co1 P2 . . 89.13(3) ?
P3 Co1 P2 . . 90.02(3) ?
O1P P1 O2A . . 106.46(11) ?
O1P P1 O1A . . 109.47(11) ?
O2A P1 O1A . . 102.22(12) ?
O1P P1 Co1 . . 117.76(8) ?
O2A P1 Co1 . . 112.03(9) ?
O1A P1 Co1 . . 107.79(8) ?
O2P P2 O1B . . 108.90(10) ?
O2P P2 O2B . . 109.71(11) ?
O1B P2 O2B . . 101.13(12) ?
O2P P2 Co1 . . 117.32(8) ?
O1B P2 Co1 . . 111.45(9) ?
O2B P2 Co1 . . 107.08(8) ?
O3P P3 O2C . . 106.64(10) ?
O3P P3 O1C . . 108.57(11) ?
O2C P3 O1C . . 105.17(13) ?
O3P P3 Co1 . . 118.37(7) ?
O2C P3 Co1 . . 108.60(8) ?
O1C P3 Co1 . . 108.72(8) ?
C1 O1 V1 . . 112.73(16) y
C2 O2 V1 . . 112.22(17) y
O1 C1 O1 . 2 126.8(3) ?
O1 C1 C2 . . 116.59(15) y
O1 C1 C2 2 . 116.59(15) ?
O2 C2 O2 . 2 126.8(3) ?
O2 C2 C1 . . 116.60(15) y
O2 C2 C1 2 . 116.60(15) ?
P1 O1P V1 . . 132.76(11) ?
C1A O1A P1 . . 119.3(2) ?
C3A O2A P1 . . 124.59(18) ?
C2A C1A O1A . . 111.6(3) ?
C2A C1A H1AA . . 109.3 ?
O1A C1A H1AA . . 109.3 ?
C2A C1A H1AB . . 109.3 ?
O1A C1A H1AB . . 109.3 ?
H1AA C1A H1AB . . 108.0 ?
C1A C2A H2AA . . 109.5 ?
C1A C2A H2AB . . 109.5 ?
H2AA C2A H2AB . . 109.5 ?
C1A C2A H2AC . . 109.5 ?
H2AA C2A H2AC . . 109.5 ?
H2AB C2A H2AC . . 109.5 ?
O2A C3A C4A . . 108.6(3) ?
O2A C3A H3AA . . 110.0 ?
C4A C3A H3AA . . 110.0 ?
O2A C3A H3AB . . 110.0 ?
C4A C3A H3AB . . 110.0 ?
H3AA C3A H3AB . . 108.3 ?
C3A C4A H4AA . . 109.5 ?
C3A C4A H4AB . . 109.5 ?
H4AA C4A H4AB . . 109.5 ?
C3A C4A H4AC . . 109.5 ?
H4AA C4A H4AC . . 109.5 ?
H4AB C4A H4AC . . 109.5 ?
P2 O2P V1 . . 128.96(11) ?
C1B O1B P2 . . 122.94(18) ?
C3B O2B P2 . . 119.9(2) ?
O1B C1B C2B . . 111.2(3) ?
O1B C1B H1BA . . 109.4 ?
C2B C1B H1BA . . 109.4 ?
O1B C1B H1BB . . 109.4 ?
C2B C1B H1BB . . 109.4 ?
H1BA C1B H1BB . . 108.0 ?
C1B C2B H2BA . . 109.5 ?
C1B C2B H2BB . . 109.5 ?
H2BA C2B H2BB . . 109.5 ?
C1B C2B H2BC . . 109.5 ?
H2BA C2B H2BC . . 109.5 ?
H2BB C2B H2BC . . 109.5 ?
O2B C3B C4B . . 109.7(3) ?
O2B C3B H3BA . . 109.7 ?
C4B C3B H3BA . . 109.7 ?
O2B C3B H3BB . . 109.7 ?
C4B C3B H3BB . . 109.7 ?
H3BA C3B H3BB . . 108.2 ?
C3B C4B H4BA . . 109.5 ?
C3B C4B H4BB . . 109.5 ?
H4BA C4B H4BB . . 109.5 ?
C3B C4B H4BC . . 109.5 ?
H4BA C4B H4BC . . 109.5 ?
H4BB C4B H4BC . . 109.5 ?
P3 O3P V1 . . 126.68(10) ?
C1C O1C P3 . . 119.63(19) ?
C3C O2C P3 . . 124.74(17) ?
O1C C1C C2C . . 109.7(3) ?
O1C C1C H1CA . . 109.7 ?
C2C C1C H1CA . . 109.7 ?
O1C C1C H1CB . . 109.7 ?
C2C C1C H1CB . . 109.7 ?
H1CA C1C H1CB . . 108.2 ?
C1C C2C H2CA . . 109.5 ?
C1C C2C H2CB . . 109.5 ?
H2CA C2C H2CB . . 109.5 ?
C1C C2C H2CC . . 109.5 ?
H2CA C2C H2CC . . 109.5 ?
H2CB C2C H2CC . . 109.5 ?
O2C C3C C4C . . 108.1(2) ?
O2C C3C H3CA . . 110.1 ?
C4C C3C H3CA . . 110.1 ?
O2C C3C H3CB . . 110.1 ?
C4C C3C H3CB . . 110.1 ?
H3CA C3C H3CB . . 108.4 ?
C3C C4C H4CA . . 109.5 ?
C3C C4C H4CB . . 109.5 ?
H4CA C4C H4CB . . 109.5 ?
C3C C4C H4CC . . 109.5 ?
H4CA C4C H4CC . . 109.5 ?
H4CB C4C H4CC . . 109.5 ?
C36 C32 C33 . . 108.8(3) ?
C36 C32 Co1 . . 70.59(17) ?
C33 C32 Co1 . . 70.64(17) ?
C36 C32 H32 . . 125.6 ?
C33 C32 H32 . . 125.6 ?
Co1 C32 H32 . . 124.8 ?
C34 C33 C32 . . 108.0(4) ?
C34 C33 Co1 . . 70.2(2) ?
C32 C33 Co1 . . 70.03(17) ?
C34 C33 H33 . . 126.0 ?
C32 C33 H33 . . 126.0 ?
Co1 C33 H33 . . 125.3 ?
C33 C34 C35 . . 108.3(3) ?
C33 C34 Co1 . . 70.99(19) ?
C35 C34 Co1 . . 69.4(2) ?
C33 C34 H34 . . 125.8 ?
C35 C34 H34 . . 125.8 ?
Co1 C34 H34 . . 125.4 ?
C36 C35 C34 . . 107.1(3) ?
C36 C35 Co1 . . 70.88(19) ?
C34 C35 Co1 . . 70.5(2) ?
C36 C35 H35 . . 126.4 ?
C34 C35 H35 . . 126.4 ?
Co1 C35 H35 . . 123.9 ?
C32 C36 C35 . . 107.8(3) ?
C32 C36 Co1 . . 70.35(17) ?
C35 C36 Co1 . . 69.38(19) ?
C32 C36 H36 . . 126.1 ?
C35 C36 H36 . . 126.1 ?
Co1 C36 H36 . . 125.7 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
V1 O3 . 1.594(2) y
V1 O1P . 1.9932(18) y
V1 O3P . 2.0145(18) y
V1 O1 . 2.0490(18) y
V1 O2 . 2.0727(17) y
V1 O2P . 2.2077(18) y
Co1 C35 . 2.063(3) ?
Co1 C34 . 2.077(3) ?
Co1 C32 . 2.079(3) ?
Co1 C36 . 2.082(3) ?
Co1 C33 . 2.087(3) ?
Co1 P1 . 2.1597(8) ?
Co1 P3 . 2.1684(7) ?
Co1 P2 . 2.1774(8) ?
P1 O1P . 1.5156(19) ?
P1 O2A . 1.596(2) ?
P1 O1A . 1.597(2) ?
P2 O2P . 1.5075(18) ?
P2 O1B . 1.604(2) ?
P2 O2B . 1.610(2) ?
P3 O3P . 1.5257(18) ?
P3 O2C . 1.599(2) ?
P3 O1C . 1.603(2) ?
O1 C1 . 1.253(2) y
O2 C2 . 1.255(2) y
C1 O1 2 1.254(2) ?
C1 C2 . 1.549(4) y
C2 O2 2 1.255(2) ?
O1A C1A . 1.455(4) ?
O2A C3A . 1.442(3) ?
C1A C2A . 1.415(5) ?
C1A H1AA . 0.9900 ?
C1A H1AB . 0.9900 ?
C2A H2AA . 0.9800 ?
C2A H2AB . 0.9800 ?
C2A H2AC . 0.9800 ?
C3A C4A . 1.492(4) ?
C3A H3AA . 0.9900 ?
C3A H3AB . 0.9900 ?
C4A H4AA . 0.9800 ?
C4A H4AB . 0.9800 ?
C4A H4AC . 0.9800 ?
O1B C1B . 1.449(3) ?
O2B C3B . 1.433(4) ?
C1B C2B . 1.473(5) ?
C1B H1BA . 0.9900 ?
C1B H1BB . 0.9900 ?
C2B H2BA . 0.9800 ?
C2B H2BB . 0.9800 ?
C2B H2BC . 0.9800 ?
C3B C4B . 1.496(5) ?
C3B H3BA . 0.9900 ?
C3B H3BB . 0.9900 ?
C4B H4BA . 0.9800 ?
C4B H4BB . 0.9800 ?
C4B H4BC . 0.9800 ?
O1C C1C . 1.461(3) ?
O2C C3C . 1.441(3) ?
C1C C2C . 1.471(5) ?
C1C H1CA . 0.9900 ?
C1C H1CB . 0.9900 ?
C2C H2CA . 0.9800 ?
C2C H2CB . 0.9800 ?
C2C H2CC . 0.9800 ?
C3C C4C . 1.501(4) ?
C3C H3CA . 0.9900 ?
C3C H3CB . 0.9900 ?
C4C H4CA . 0.9800 ?
C4C H4CB . 0.9800 ?
C4C H4CC . 0.9800 ?
C32 C36 . 1.391(5) ?
C32 C33 . 1.402(5) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.383(6) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.422(7) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.409(6) ?
C35 H35 . 0.9500 ?
C36 H36 . 0.9500 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C35 Co1 P1 O1P . . -128.14(15) ?
C34 Co1 P1 O1P . . -127.0(2) ?
C32 Co1 P1 O1P . . 161.50(13) ?
C36 Co1 P1 O1P . . -163.17(14) ?
C33 Co1 P1 O1P . . 155.0(2) ?
P3 Co1 P1 O1P . . -28.28(9) ?
P2 Co1 P1 O1P . . 61.74(9) ?
C35 Co1 P1 O2A . . -4.20(15) ?
C34 Co1 P1 O2A . . -3.1(2) ?
C32 Co1 P1 O2A . . -74.56(13) ?
C36 Co1 P1 O2A . . -39.23(14) ?
C33 Co1 P1 O2A . . -81.1(2) ?
P3 Co1 P1 O2A . . 95.66(9) ?
P2 Co1 P1 O2A . . -174.32(9) ?
C35 Co1 P1 O1A . . 107.49(14) ?
C34 Co1 P1 O1A . . 108.6(2) ?
C32 Co1 P1 O1A . . 37.13(13) ?
C36 Co1 P1 O1A . . 72.46(14) ?
C33 Co1 P1 O1A . . 30.6(2) ?
P3 Co1 P1 O1A . . -152.64(9) ?
P2 Co1 P1 O1A . . -62.63(9) ?
C35 Co1 P2 O2P . . 173.1(4) ?
C34 Co1 P2 O2P . . 151.66(14) ?
C32 Co1 P2 O2P . . -141.04(12) ?
C36 Co1 P2 O2P . . -122.13(16) ?
C33 Co1 P2 O2P . . -179.98(13) ?
P1 Co1 P2 O2P . . -33.44(8) ?
P3 Co1 P2 O2P . . 56.69(8) ?
C35 Co1 P2 O1B . . 46.6(4) ?
C34 Co1 P2 O1B . . 25.17(15) ?
C32 Co1 P2 O1B . . 92.47(13) ?
C36 Co1 P2 O1B . . 111.37(17) ?
C33 Co1 P2 O1B . . 53.52(14) ?
P1 Co1 P2 O1B . . -159.94(9) ?
P3 Co1 P2 O1B . . -69.81(9) ?
C35 Co1 P2 O2B . . -63.1(4) ?
C34 Co1 P2 O2B . . -84.57(15) ?
C32 Co1 P2 O2B . . -17.27(13) ?
C36 Co1 P2 O2B . . 1.64(17) ?
C33 Co1 P2 O2B . . -56.21(13) ?
P1 Co1 P2 O2B . . 90.33(9) ?
P3 Co1 P2 O2B . . -179.54(9) ?
C35 Co1 P3 O3P . . 172.13(18) ?
C34 Co1 P3 O3P . . -147.70(17) ?
C32 Co1 P3 O3P . . -146.0(3) ?
C36 Co1 P3 O3P . . 151.80(16) ?
C33 Co1 P3 O3P . . -120.05(16) ?
P1 Co1 P3 O3P . . 62.11(9) ?
P2 Co1 P3 O3P . . -27.02(9) ?
C35 Co1 P3 O2C . . -66.20(18) ?
C34 Co1 P3 O2C . . -26.03(18) ?
C32 Co1 P3 O2C . . -24.4(3) ?
C36 Co1 P3 O2C . . -86.53(17) ?
C33 Co1 P3 O2C . . 1.62(17) ?
P1 Co1 P3 O2C . . -176.22(10) ?
P2 Co1 P3 O2C . . 94.65(10) ?
C35 Co1 P3 O1C . . 47.72(18) ?
C34 Co1 P3 O1C . . 87.88(17) ?
C32 Co1 P3 O1C . . 89.6(3) ?
C36 Co1 P3 O1C . . 27.39(17) ?
C33 Co1 P3 O1C . . 115.54(16) ?
P1 Co1 P3 O1C . . -62.30(9) ?
P2 Co1 P3 O1C . . -151.43(9) ?
O3 V1 O1 C1 . . -104.15(14) ?
O1P V1 O1 C1 . . 158.36(13) ?
O3P V1 O1 C1 . . 64.2(3) ?
O2 V1 O1 C1 . . -8.84(12) ?
O2P V1 O1 C1 . . 73.79(12) ?
O3 V1 O2 C2 . . 103.96(13) ?
O1P V1 O2 C2 . . -48.4(3) ?
O3P V1 O2 C2 . . -155.87(12) ?
O1 V1 O2 C2 . . 5.59(11) ?
O2P V1 O2 C2 . . -74.30(12) ?
V1 O1 C1 O1 . 2 -169.74(13) ?
V1 O1 C1 C2 . . 10.26(13) y
V1 O2 C2 O2 . 2 177.97(13) y
V1 O2 C2 C1 . . -2.03(13) y
O1 C1 C2 O2 . . -5.76(13) y
O1 C1 C2 O2 2 . 174.24(13) ?
O1 C1 C2 O2 . 2 174.24(13) ?
O1 C1 C2 O2 2 2 -5.76(13) ?
O2A P1 O1P V1 . . -155.10(15) ?
O1A P1 O1P V1 . . 95.11(16) ?
Co1 P1 O1P V1 . . -28.41(18) ?
O3 V1 O1P P1 . . 153.83(16) ?
O3P V1 O1P P1 . . 53.77(16) ?
O1 V1 O1P P1 . . -106.88(16) ?
O2 V1 O1P P1 . . -53.9(4) ?
O2P V1 O1P P1 . . -28.19(16) ?
O1P P1 O1A C1A . . 39.5(3) ?
O2A P1 O1A C1A . . -73.0(3) ?
Co1 P1 O1A C1A . . 168.8(2) ?
O1P P1 O2A C3A . . 8.5(3) ?
O1A P1 O2A C3A . . 123.3(2) ?
Co1 P1 O2A C3A . . -121.6(2) ?
P1 O1A C1A C2A . . -148.7(4) ?
P1 O2A C3A C4A . . 141.6(3) ?
O1B P2 O2P V1 . . 101.82(15) ?
O2B P2 O2P V1 . . -148.35(13) ?
Co1 P2 O2P V1 . . -25.91(15) ?
O3 V1 O2P P2 . . -164.0(17) ?
O1P V1 O2P P2 . . 60.05(13) ?
O3P V1 O2P P2 . . -32.47(13) ?
O1 V1 O2P P2 . . 150.71(14) ?
O2 V1 O2P P2 . . -126.85(14) ?
O2P P2 O1B C1B . . -12.3(3) ?
O2B P2 O1B C1B . . -127.8(2) ?
Co1 P2 O1B C1B . . 118.7(2) ?
O2P P2 O2B C3B . . -42.2(3) ?
O1B P2 O2B C3B . . 72.7(3) ?
Co1 P2 O2B C3B . . -170.6(2) ?
P2 O1B C1B C2B . . 99.8(4) ?
P2 O2B C3B C4B . . 163.9(2) ?
O2C P3 O3P V1 . . -165.84(14) ?
O1C P3 O3P V1 . . 81.30(15) ?
Co1 P3 O3P V1 . . -43.18(16) ?
O3 V1 O3P P3 . . -109.89(15) ?
O1P V1 O3P P3 . . -12.01(14) ?
O1 V1 O3P P3 . . 81.7(3) ?
O2 V1 O3P P3 . . 152.83(14) ?
O2P V1 O3P P3 . . 72.28(14) ?
O3P P3 O1C C1C . . 44.0(2) ?
O2C P3 O1C C1C . . -69.8(2) ?
Co1 P3 O1C C1C . . 174.1(2) ?
O3P P3 O2C C3C . . -22.9(3) ?
O1C P3 O2C C3C . . 92.3(3) ?
Co1 P3 O2C C3C . . -151.5(2) ?
P3 O1C C1C C2C . . -152.3(3) ?
P3 O2C C3C C4C . . -149.4(2) ?
C35 Co1 C32 C36 . . -37.8(2) ?
C34 Co1 C32 C36 . . -81.9(3) ?
C33 Co1 C32 C36 . . -119.1(3) ?
P1 Co1 C32 C36 . . 66.6(2) ?
P3 Co1 C32 C36 . . -83.8(3) ?
P2 Co1 C32 C36 . . 158.71(19) ?
C35 Co1 C32 C33 . . 81.3(3) ?
C34 Co1 C32 C33 . . 37.1(2) ?
C36 Co1 C32 C33 . . 119.1(3) ?
P1 Co1 C32 C33 . . -174.3(2) ?
P3 Co1 C32 C33 . . 35.3(4) ?
P2 Co1 C32 C33 . . -82.2(2) ?
C36 C32 C33 C34 . . 0.3(3) ?
Co1 C32 C33 C34 . . -60.2(2) ?
C36 C32 C33 Co1 . . 60.5(2) ?
C35 Co1 C33 C34 . . 38.0(2) ?
C32 Co1 C33 C34 . . 118.7(3) ?
C36 Co1 C33 C34 . . 81.6(3) ?
P1 Co1 C33 C34 . . 128.5(2) ?
P3 Co1 C33 C34 . . -47.6(3) ?
P2 Co1 C33 C34 . . -139.3(2) ?
C35 Co1 C33 C32 . . -80.7(2) ?
C34 Co1 C33 C32 . . -118.7(3) ?
C36 Co1 C33 C32 . . -37.1(2) ?
P1 Co1 C33 C32 . . 9.8(3) ?
P3 Co1 C33 C32 . . -166.27(17) ?
P2 Co1 C33 C32 . . 102.1(2) ?
C32 C33 C34 C35 . . 0.5(4) ?
Co1 C33 C34 C35 . . -59.6(2) ?
C32 C33 C34 Co1 . . 60.1(2) ?
C35 Co1 C34 C33 . . -119.0(3) ?
C32 Co1 C34 C33 . . -37.6(2) ?
C36 Co1 C34 C33 . . -80.5(2) ?
P1 Co1 C34 C33 . . -120.6(3) ?
P3 Co1 C34 C33 . . 141.8(2) ?
P2 Co1 C34 C33 . . 49.2(2) ?
C32 Co1 C34 C35 . . 81.4(2) ?
C36 Co1 C34 C35 . . 38.4(2) ?
C33 Co1 C34 C35 . . 119.0(3) ?
P1 Co1 C34 C35 . . -1.6(4) ?
P3 Co1 C34 C35 . . -99.3(2) ?
P2 Co1 C34 C35 . . 168.18(19) ?
C33 C34 C35 C36 . . -1.2(4) ?
Co1 C34 C35 C36 . . -61.8(2) ?
C33 C34 C35 Co1 . . 60.6(2) ?
C34 Co1 C35 C36 . . 117.0(3) ?
C32 Co1 C35 C36 . . 37.1(2) ?
C33 Co1 C35 C36 . . 80.2(2) ?
P1 Co1 C35 C36 . . -63.9(2) ?
P3 Co1 C35 C36 . . -157.4(2) ?
P2 Co1 C35 C36 . . 87.8(5) ?
C32 Co1 C35 C34 . . -79.8(2) ?
C36 Co1 C35 C34 . . -117.0(3) ?
C33 Co1 C35 C34 . . -36.7(2) ?
P1 Co1 C35 C34 . . 179.1(2) ?
P3 Co1 C35 C34 . . 85.7(2) ?
P2 Co1 C35 C34 . . -29.2(5) ?
C33 C32 C36 C35 . . -1.1(3) ?
Co1 C32 C36 C35 . . 59.5(2) ?
C33 C32 C36 Co1 . . -60.6(2) ?
C34 C35 C36 C32 . . 1.4(4) ?
Co1 C35 C36 C32 . . -60.1(2) ?
C34 C35 C36 Co1 . . 61.5(2) ?
C35 Co1 C36 C32 . . 118.8(3) ?
C34 Co1 C36 C32 . . 79.9(2) ?
C33 Co1 C36 C32 . . 37.3(2) ?
P1 Co1 C36 C32 . . -118.93(19) ?
P3 Co1 C36 C32 . . 151.20(16) ?
P2 Co1 C36 C32 . . -30.5(3) ?
C34 Co1 C36 C35 . . -38.9(3) ?
C32 Co1 C36 C35 . . -118.8(3) ?
C33 Co1 C36 C35 . . -81.4(3) ?
P1 Co1 C36 C35 . . 122.3(2) ?
P3 Co1 C36 C35 . . 32.4(3) ?
P2 Co1 C36 C35 . . -149.2(2) ?
