#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:58:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179402 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/99/4329999.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_4329999
loop_
_publ_author_name
'Alexander E. Anderson'
'Michael P. Weberski'
'Craig C. McLauchlan'
_publ_contact_author_address
; Department of Chemistry
  Illinois State University
  Campus Box 4160
  Normal, IL 61790-4160, USA
;
_publ_contact_author_email       mclauchlan@ilstu.edu
_publ_contact_author_fax         +(309)438-5538
_publ_contact_author_name        'Craig C. McLauchlan'
_publ_contact_author_phone       +(309)438-7019
_publ_section_title
;
 Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and
 Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8719
_journal_page_last               8728
_journal_paper_doi               10.1021/ic3002306
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C58 H90 Co2 O24 P8 V2, 2 (H2 O)'
_chemical_formula_sum            'C58 H94 Co2 O26 P8 V2'
_chemical_formula_weight         1674.83
_chemical_name_systematic
; 
 ? 
;
_chemical_temperature_decomposition 459(8)
_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                96.2240(10)
_cell_angle_beta                 103.7480(10)
_cell_angle_gamma                113.8880(10)
_cell_formula_units_Z            1
_cell_length_a                   11.7238(7)
_cell_length_b                   11.8877(7)
_cell_length_c                   15.2380(13)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.089
_cell_measurement_theta_min      2.402
_cell_volume                     1835.4(2)
_computing_cell_refinement       'Apex2 v2008.2-4'
_computing_data_collection       'Apex2 v2008.2-4 (Bruker, 2008)'
_computing_data_reduction        'Apex2 v2008.2-4'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_structure_solution    'SHELXTL 6.14 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_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  0.0142
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17443
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.941
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 v2008.2-2 (Bruker, 2008)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_description       plate
_exptl_crystal_F_000             870
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.480
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.814
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         8330
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0443P)²+1.6566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0858
_reflns_number_gt                7139
_reflns_number_total             8330
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3002306_si_002_1.cif
_cod_data_source_block           3isu117
_cod_database_code               4329999
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
Co1 Co 0.84938(2) 0.68904(2) 0.417257(17) 0.01423(7) Uani 1 1 d .
V1 V 0.64844(3) 0.53580(3) 0.14470(2) 0.01323(8) Uani 1 1 d .
P1 P 0.92920(5) 0.72824(5) 0.30373(3) 0.01578(10) Uani 1 1 d .
P2 P 0.68373(5) 0.71871(5) 0.34652(3) 0.01519(10) Uani 1 1 d .
P3 P 0.74682(5) 0.49084(5) 0.35047(3) 0.01492(10) Uani 1 1 d .
P4 P 0.64719(4) 0.66121(4) -0.03298(3) 0.01317(10) Uani 1 1 d .
O1 O 0.45154(12) 0.45151(12) 0.11117(9) 0.0152(3) Uani 1 1 d .
O2 O 0.63874(12) 0.65563(12) 0.06415(9) 0.0157(3) Uani 1 1 d .
O3 O 0.66565(13) 0.43698(13) 0.07533(9) 0.0195(3) Uani 1 1 d .
O1P O 0.84149(13) 0.65437(13) 0.20661(9) 0.0178(3) Uani 1 1 d .
O2P O 0.62832(12) 0.67399(12) 0.24272(9) 0.0160(3) Uani 1 1 d .
O3P O 0.65320(13) 0.44991(12) 0.25296(9) 0.0162(3) Uani 1 1 d .
O1A O 0.99415(14) 0.87541(13) 0.30257(10) 0.0233(3) Uani 1 1 d .
O1B O 0.72758(14) 0.86743(13) 0.37680(10) 0.0215(3) Uani 1 1 d .
O1C O 0.84384(14) 0.42640(14) 0.35261(9) 0.0205(3) Uani 1 1 d .
O2A O 1.05692(13) 0.70475(14) 0.32447(10) 0.0223(3) Uani 1 1 d .
O2B O 0.56485(14) 0.66598(15) 0.38981(10) 0.0244(3) Uani 1 1 d .
O2C O 0.66767(14) 0.42114(13) 0.41667(9) 0.0193(3) Uani 1 1 d .
C1 C 0.63411(17) 0.80231(18) -0.05450(13) 0.0162(4) Uani 1 1 d .
C1B C 0.6366(2) 0.9185(2) 0.34040(17) 0.0300(5) Uani 1 1 d .
H1BA H 0.5540 0.8499 0.2970 0.036 Uiso 1 1 calc R
H1BB H 0.6755 0.9826 0.3061 0.036 Uiso 1 1 calc R
C1A C 0.9274(2) 0.9312(2) 0.24281(16) 0.0263(4) Uani 1 1 d .
H1AA H 0.8804 0.9648 0.2757 0.032 Uiso 1 1 calc R
H1AB H 0.8625 0.8666 0.1864 0.032 Uiso 1 1 calc R
C1C C 0.8762(2) 0.3917(2) 0.27072(14) 0.0230(4) Uani 1 1 d .
H1CA H 0.9721 0.4206 0.2867 0.028 Uiso 1 1 calc R
H1CB H 0.8502 0.4334 0.2222 0.028 Uiso 1 1 calc R
C2 C 0.64569(18) 0.89376(19) 0.01699(14) 0.0191(4) Uani 1 1 d .
H2A H 0.6602 0.8823 0.0787 0.023 Uiso 1 1 calc R
C2B C 0.6090(3) 0.9775(2) 0.4194(2) 0.0397(6) Uani 1 1 d .
H2BA H 0.5552 1.0196 0.3962 0.059 Uiso 1 1 calc R
H2BB H 0.6919 1.0397 0.4651 0.059 Uiso 1 1 calc R
H2BC H 0.5616 0.9119 0.4488 0.059 Uiso 1 1 calc R
C2C C 0.8061(3) 0.2514(2) 0.23461(18) 0.0389(6) Uani 1 1 d .
H2CA H 0.8376 0.2275 0.1850 0.058 Uiso 1 1 calc R
H2CB H 0.7116 0.2247 0.2101 0.058 Uiso 1 1 calc R
H2CC H 0.8231 0.2101 0.2851 0.058 Uiso 1 1 calc R
C2A C 1.0292(3) 1.0370(2) 0.21649(17) 0.0342(5) Uani 1 1 d .
H2AA H 0.9863 1.0777 0.1773 0.051 Uiso 1 1 calc R
H2AB H 1.0732 1.0024 0.1823 0.051 Uiso 1 1 calc R
H2AC H 1.0940 1.0994 0.2728 0.051 Uiso 1 1 calc R
C3 C 0.63602(19) 1.00195(19) -0.00225(16) 0.0231(4) Uani 1 1 d .
H3A H 0.6443 1.0643 0.0467 0.028 Uiso 1 1 calc R
C3C C 0.6005(2) 0.28397(19) 0.39625(16) 0.0246(4) Uani 1 1 d .
H3CA H 0.6481 0.2525 0.4422 0.030 Uiso 1 1 calc R
H3CB H 0.5989 0.2488 0.3338 0.030 Uiso 1 1 calc R
C3B C 0.4552(2) 0.5416(2) 0.34900(17) 0.0263(5) Uani 1 1 d .
H3BA H 0.4510 0.4878 0.3946 0.032 Uiso 1 1 calc R
H3BB H 0.4672 0.5008 0.2940 0.032 Uiso 1 1 calc R
C3A C 1.1243(2) 0.7150(2) 0.25411(16) 0.0288(5) Uani 1 1 d .
H3AA H 1.0735 0.7281 0.1976 0.035 Uiso 1 1 calc R
H3AB H 1.1313 0.6358 0.2370 0.035 Uiso 1 1 calc R
C4 C 0.61460(19) 1.01979(19) -0.09159(16) 0.0240(4) Uani 1 1 d .
H4A H 0.6077 1.0937 -0.1042 0.029 Uiso 1 1 calc R
C4C C 0.4626(2) 0.2415(2) 0.39988(17) 0.0309(5) Uani 1 1 d .
H4CA H 0.4194 0.1492 0.3901 0.046 Uiso 1 1 calc R
H4CB H 0.4139 0.2673 0.3512 0.046 Uiso 1 1 calc R
H4CC H 0.4646 0.2802 0.4607 0.046 Uiso 1 1 calc R
C4B C 0.3304(2) 0.5548(2) 0.32095(17) 0.0312(5) Uani 1 1 d .
H4BA H 0.2560 0.4710 0.2938 0.047 Uiso 1 1 calc R
H4BB H 0.3346 0.6069 0.2751 0.047 Uiso 1 1 calc R
H4BC H 0.3191 0.5951 0.3757 0.047 Uiso 1 1 calc R
C4A C 1.2583(2) 0.8238(3) 0.2917(2) 0.0411(6) Uani 1 1 d .
H4AA H 1.3074 0.8243 0.2477 0.062 Uiso 1 1 calc R
H4AB H 1.3047 0.8153 0.3513 0.062 Uiso 1 1 calc R
H4AC H 1.2508 0.9031 0.3007 0.062 Uiso 1 1 calc R
C5 C 0.6032(2) 0.9288(2) -0.16271(15) 0.0268(5) Uani 1 1 d .
H5A H 0.5886 0.9406 -0.2243 0.032 Uiso 1 1 calc R
C6 C 0.6131(2) 0.8204(2) -0.14451(14) 0.0235(4) Uani 1 1 d .
H6A H 0.6055 0.7586 -0.1936 0.028 Uiso 1 1 calc R
C7 C 0.80797(18) 0.68502(18) -0.03565(13) 0.0164(4) Uani 1 1 d .
C8 C 0.8300(2) 0.5839(2) -0.06852(15) 0.0228(4) Uani 1 1 d .
H8A H 0.7584 0.5024 -0.0952 0.027 Uiso 1 1 calc R
C9 C 0.9571(2) 0.6023(2) -0.06220(17) 0.0281(5) Uani 1 1 d .
H9A H 0.9717 0.5333 -0.0849 0.034 Uiso 1 1 calc R
C10 C 1.0624(2) 0.7208(2) -0.02285(16) 0.0269(5) Uani 1 1 d .
H10A H 1.1490 0.7324 -0.0174 0.032 Uiso 1 1 calc R
C11 C 1.0411(2) 0.8219(2) 0.00845(15) 0.0257(4) Uani 1 1 d .
H11A H 1.1130 0.9034 0.0344 0.031 Uiso 1 1 calc R
C12 C 0.91466(19) 0.8044(2) 0.00190(14) 0.0217(4) Uani 1 1 d .
H12A H 0.9005 0.8743 0.0232 0.026 Uiso 1 1 calc R
C13 C 0.8833(2) 0.8129(2) 0.53934(14) 0.0259(4) Uani 1 1 d .
H13 H 0.8435 0.8677 0.5451 0.031 Uiso 1 1 calc R
C14 C 1.0017(2) 0.8434(2) 0.51852(14) 0.0267(5) Uani 1 1 d .
H14 H 1.0552 0.9217 0.5072 0.032 Uiso 1 1 calc R
C15 C 1.0267(2) 0.7355(2) 0.51755(14) 0.0265(5) Uani 1 1 d .
H15 H 1.1000 0.7291 0.5055 0.032 Uiso 1 1 calc R
C16 C 0.9239(2) 0.6403(2) 0.53760(14) 0.0238(4) Uani 1 1 d .
H16 H 0.9160 0.5585 0.5420 0.029 Uiso 1 1 calc R
C17 C 0.8338(2) 0.6872(2) 0.55024(13) 0.0241(4) Uani 1 1 d .
H17 H 0.7546 0.6422 0.5636 0.029 Uiso 1 1 calc R
O1W O 0.41983(15) 0.71610(15) 0.12205(12) 0.0245(3) Uani 1 1 d .
H1WB H 0.479(3) 0.696(3) 0.1498(19) 0.029 Uiso 1 1 d .
H1WA H 0.393(3) 0.682(3) 0.064(2) 0.029 Uiso 1 1 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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C17 Co1 C16 39.86(9) . .
C17 Co1 C15 66.70(9) . .
C16 Co1 C15 39.39(9) . .
C17 Co1 C14 66.66(9) . .
C16 Co1 C14 66.57(8) . .
C15 Co1 C14 39.99(9) . .
C17 Co1 C13 39.62(9) . .
C16 Co1 C13 66.41(9) . .
C15 Co1 C13 66.50(9) . .
C14 Co1 C13 39.41(9) . .
C17 Co1 P3 101.94(6) . .
C16 Co1 P3 88.22(6) . .
C15 Co1 P3 112.45(7) . .
C14 Co1 P3 152.13(7) . .
C13 Co1 P3 140.65(7) . .
C17 Co1 P1 162.00(6) . .
C16 Co1 P1 128.76(7) . .
C15 Co1 P1 96.40(7) . .
C14 Co1 P1 96.59(6) . .
C13 Co1 P1 129.26(7) . .
P3 Co1 P1 90.02(2) . .
C17 Co1 P2 103.09(6) . .
C16 Co1 P2 141.31(7) . .
C15 Co1 P2 155.46(7) . .
C14 Co1 P2 115.80(7) . .
C13 Co1 P2 91.20(6) . .
P3 Co1 P2 91.16(2) . .
P1 Co1 P2 89.92(2) . .
O3 V1 O2 99.58(7) . .
O3 V1 O1 98.93(6) . .
O2 V1 O1 89.91(5) . .
O3 V1 O1P 97.61(6) . .
O2 V1 O1P 88.88(5) . .
O1 V1 O1P 163.38(6) . .
O3 V1 O3P 96.97(6) . .
O2 V1 O3P 163.45(6) . .
O1 V1 O3P 87.84(5) . .
O1P V1 O3P 88.61(5) . .
O3 V1 O2P 178.93(6) . .
O2 V1 O2P 80.86(5) . .
O1 V1 O2P 82.03(5) . .
O1P V1 O2P 81.41(5) . .
O3P V1 O2P 82.58(5) . .
O1P P1 O2A 108.28(8) . .
O1P P1 O1A 108.06(8) . .
O2A P1 O1A 99.88(8) . .
O1P P1 Co1 117.96(6) . .
O2A P1 Co1 107.25(6) . .
O1A P1 Co1 113.75(6) . .
O2P P2 O1B 110.23(8) . .
O2P P2 O2B 108.36(8) . .
O1B P2 O2B 99.25(8) . .
O2P P2 Co1 118.53(6) . .
O1B P2 Co1 106.33(6) . .
O2B P2 Co1 112.40(6) . .
O3P P3 O2C 108.61(8) . .
O3P P3 O1C 108.06(8) . .
O2C P3 O1C 100.59(8) . .
O3P P3 Co1 118.86(6) . .
O2C P3 Co1 106.54(6) . .
O1C P3 Co1 112.54(6) . .
O2 P4 O1 117.50(7) . 2_665
O2 P4 C1 105.82(8) . .
O1 P4 C1 110.15(8) 2_665 .
O2 P4 C7 109.59(8) . .
O1 P4 C7 107.13(8) 2_665 .
C1 P4 C7 106.12(9) . .
P4 O1 V1 128.61(8) 2_665 .
P4 O2 V1 133.25(8) . .
P1 O1P V1 136.63(8) . .
P2 O2P V1 131.06(8) . .
P3 O3P V1 132.74(8) . .
C1A O1A P1 123.03(13) . .
C1B O1B P2 119.87(14) . .
C1C O1C P3 122.34(12) . .
C3A O2A P1 118.37(13) . .
C3B O2B P2 121.09(13) . .
C3C O2C P3 119.93(13) . .
C6 C1 C2 119.46(18) . .
C6 C1 P4 119.04(15) . .
C2 C1 P4 121.50(15) . .
O1B C1B C2B 109.06(19) . .
O1B C1B H1BA 109.9 . .
C2B C1B H1BA 109.9 . .
O1B C1B H1BB 109.9 . .
C2B C1B H1BB 109.9 . .
H1BA C1B H1BB 108.3 . .
O1A C1A C2A 108.10(19) . .
O1A C1A H1AA 110.1 . .
C2A C1A H1AA 110.1 . .
O1A C1A H1AB 110.1 . .
C2A C1A H1AB 110.1 . .
H1AA C1A H1AB 108.4 . .
O1C C1C C2C 109.84(18) . .
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 . .
C3 C2 C1 119.82(19) . .
C3 C2 H2A 120.1 . .
C1 C2 H2A 120.1 . .
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 . .
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 . .
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 . .
C4 C3 C2 120.8(2) . .
C4 C3 H3A 119.6 . .
C2 C3 H3A 119.6 . .
O2C C3C C4C 109.63(18) . .
O2C C3C H3CA 109.7 . .
C4C C3C H3CA 109.7 . .
O2C C3C H3CB 109.7 . .
C4C C3C H3CB 109.7 . .
H3CA C3C H3CB 108.2 . .
O2B C3B C4B 109.16(18) . .
O2B C3B H3BA 109.8 . .
C4B C3B H3BA 109.8 . .
O2B C3B H3BB 109.8 . .
C4B C3B H3BB 109.8 . .
H3BA C3B H3BB 108.3 . .
O2A C3A C4A 109.5(2) . .
O2A C3A H3AA 109.8 . .
C4A C3A H3AA 109.8 . .
O2A C3A H3AB 109.8 . .
C4A C3A H3AB 109.8 . .
H3AA C3A H3AB 108.2 . .
C3 C4 C5 119.4(2) . .
C3 C4 H4A 120.3 . .
C5 C4 H4A 120.3 . .
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 . .
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 . .
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 . .
C4 C5 C6 120.5(2) . .
C4 C5 H5A 119.7 . .
C6 C5 H5A 119.7 . .
C1 C6 C5 120.1(2) . .
C1 C6 H6A 120.0 . .
C5 C6 H6A 120.0 . .
C8 C7 C12 118.94(18) . .
C8 C7 P4 120.98(15) . .
C12 C7 P4 119.91(15) . .
C9 C8 C7 120.05(19) . .
C9 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
C10 C9 C8 120.3(2) . .
C10 C9 H9A 119.8 . .
C8 C9 H9A 119.8 . .
C11 C10 C9 120.0(2) . .
C11 C10 H10A 120.0 . .
C9 C10 H10A 120.0 . .
C10 C11 C12 120.0(2) . .
C10 C11 H11A 120.0 . .
C12 C11 H11A 120.0 . .
C11 C12 C7 120.7(2) . .
C11 C12 H12A 119.6 . .
C7 C12 H12A 119.6 . .
C14 C13 C17 108.5(2) . .
C14 C13 Co1 70.22(12) . .
C17 C13 Co1 69.77(12) . .
C14 C13 H13 125.8 . .
C17 C13 H13 125.8 . .
Co1 C13 H13 125.8 . .
C13 C14 C15 107.61(19) . .
C13 C14 Co1 70.37(12) . .
C15 C14 Co1 69.81(12) . .
C13 C14 H14 126.2 . .
C15 C14 H14 126.2 . .
Co1 C14 H14 125.2 . .
C16 C15 C14 108.0(2) . .
C16 C15 Co1 70.32(12) . .
C14 C15 Co1 70.20(12) . .
C16 C15 H15 126.0 . .
C14 C15 H15 126.0 . .
Co1 C15 H15 125.1 . .
C15 C16 C17 108.31(19) . .
C15 C16 Co1 70.29(12) . .
C17 C16 Co1 69.91(11) . .
C15 C16 H16 125.8 . .
C17 C16 H16 125.8 . .
Co1 C16 H16 125.5 . .
C13 C17 C16 107.6(2) . .
C13 C17 Co1 70.61(12) . .
C16 C17 Co1 70.24(12) . .
C13 C17 H17 126.2 . .
C16 C17 H17 126.2 . .
Co1 C17 H17 124.6 . .
H1WB O1W H1WA 109(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C17 2.079(2) .
Co1 C16 2.083(2) .
Co1 C15 2.083(2) .
Co1 C14 2.088(2) .
Co1 C13 2.090(2) .
Co1 P3 2.1533(6) .
Co1 P1 2.1626(6) .
Co1 P2 2.1680(5) .
V1 O3 1.6005(14) .
V1 O2 1.9982(13) .
V1 O1 2.0122(13) .
V1 O1P 2.0279(13) .
V1 O3P 2.0334(13) .
V1 O2P 2.2214(14) .
P1 O1P 1.5107(14) .
P1 O2A 1.5978(14) .
P1 O1A 1.6047(15) .
P2 O2P 1.5020(14) .
P2 O1B 1.6053(15) .
P2 O2B 1.6091(15) .
P3 O3P 1.5116(14) .
P3 O2C 1.6027(14) .
P3 O1C 1.6047(14) .
P4 O2 1.5133(14) .
P4 O1 1.5156(13) 2_665
P4 C1 1.802(2) .
P4 C7 1.8006(19) .
O1 P4 1.5156(13) 2_665
O1A C1A 1.447(3) .
O1B C1B 1.459(2) .
O1C C1C 1.453(2) .
O2A C3A 1.463(3) .
O2B C3B 1.451(3) .
O2C C3C 1.452(2) .
C1 C6 1.391(3) .
C1 C2 1.393(3) .
C1B C2B 1.494(3) .
C1B H1BA 0.9900 .
C1B H1BB 0.9900 .
C1A C2A 1.512(3) .
C1A H1AA 0.9900 .
C1A H1AB 0.9900 .
C1C C2C 1.495(3) .
C1C H1CA 0.9900 .
C1C H1CB 0.9900 .
C2 C3 1.392(3) .
C2 H2A 0.9500 .
C2B H2BA 0.9800 .
C2B H2BB 0.9800 .
C2B H2BC 0.9800 .
C2C H2CA 0.9800 .
C2C H2CB 0.9800 .
C2C H2CC 0.9800 .
C2A H2AA 0.9800 .
C2A H2AB 0.9800 .
C2A H2AC 0.9800 .
C3 C4 1.380(3) .
C3 H3A 0.9500 .
C3C C4C 1.503(3) .
C3C H3CA 0.9900 .
C3C H3CB 0.9900 .
C3B C4B 1.501(3) .
C3B H3BA 0.9900 .
C3B H3BB 0.9900 .
C3A C4A 1.495(3) .
C3A H3AA 0.9900 .
C3A H3AB 0.9900 .
C4 C5 1.386(3) .
C4 H4A 0.9500 .
C4C H4CA 0.9800 .
C4C H4CB 0.9800 .
C4C H4CC 0.9800 .
C4B H4BA 0.9800 .
C4B H4BB 0.9800 .
C4B H4BC 0.9800 .
C4A H4AA 0.9800 .
C4A H4AB 0.9800 .
C4A H4AC 0.9800 .
C5 C6 1.391(3) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.395(3) .
C7 C12 1.397(3) .
C8 C9 1.392(3) .
C8 H8A 0.9500 .
C9 C10 1.387(3) .
C9 H9A 0.9500 .
C10 C11 1.382(3) .
C10 H10A 0.9500 .
C11 C12 1.388(3) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.409(3) .
C13 C17 1.413(3) .
C13 H13 0.9500 .
C14 C15 1.426(3) .
C14 H14 0.9500 .
C15 C16 1.404(3) .
C15 H15 0.9500 .
C16 C17 1.419(3) .
C16 H16 0.9500 .
C17 H17 0.9500 .
O1W H1WB 0.86(3) .
O1W H1WA 0.85(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WB O2P 0.86(3) 2.10(3) 2.943(2) 168(3) .
O1W H1WA O3 0.85(3) 2.20(3) 3.044(2) 168(3) 2_665
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C17 Co1 P1 O1P 170.3(2) . .
C16 Co1 P1 O1P 125.96(10) . .
C15 Co1 P1 O1P 150.84(9) . .
C14 Co1 P1 O1P -168.90(9) . .
C13 Co1 P1 O1P -144.42(10) . .
P3 Co1 P1 O1P 38.23(7) . .
P2 Co1 P1 O1P -52.92(7) . .
C17 Co1 P1 O2A 47.9(2) . .
C16 Co1 P1 O2A 3.51(10) . .
C15 Co1 P1 O2A 28.39(9) . .
C14 Co1 P1 O2A 68.65(9) . .
C13 Co1 P1 O2A 93.13(10) . .
P3 Co1 P1 O2A -84.22(6) . .
P2 Co1 P1 O2A -175.37(6) . .
C17 Co1 P1 O1A -61.6(2) . .
C16 Co1 P1 O1A -105.93(10) . .
C15 Co1 P1 O1A -81.06(9) . .
C14 Co1 P1 O1A -40.79(9) . .
C13 Co1 P1 O1A -16.31(10) . .
P3 Co1 P1 O1A 166.34(6) . .
P2 Co1 P1 O1A 75.18(6) . .
C17 Co1 P2 O2P -155.17(9) . .
C16 Co1 P2 O2P -141.23(11) . .
C15 Co1 P2 O2P 142.77(17) . .
C14 Co1 P2 O2P 134.67(9) . .
C13 Co1 P2 O2P 166.66(9) . .
P3 Co1 P2 O2P -52.63(7) . .
P1 Co1 P2 O2P 37.38(7) . .
C17 Co1 P2 O1B 80.12(9) . .
C16 Co1 P2 O1B 94.07(11) . .
C15 Co1 P2 O1B 18.06(17) . .
C14 Co1 P2 O1B 9.97(9) . .
C13 Co1 P2 O1B 41.95(9) . .
P3 Co1 P2 O1B -177.34(6) . .
P1 Co1 P2 O1B -87.32(6) . .
C17 Co1 P2 O2B -27.45(9) . .
C16 Co1 P2 O2B -13.50(12) . .
C15 Co1 P2 O2B -89.51(17) . .
C14 Co1 P2 O2B -97.61(9) . .
C13 Co1 P2 O2B -65.62(9) . .
P3 Co1 P2 O2B 75.09(7) . .
P1 Co1 P2 O2B 165.11(6) . .
C17 Co1 P3 O3P 136.85(9) . .
C16 Co1 P3 O3P 174.52(9) . .
C15 Co1 P3 O3P -153.63(9) . .
C14 Co1 P3 O3P -160.95(15) . .
C13 Co1 P3 O3P 126.53(12) . .
P1 Co1 P3 O3P -56.70(7) . .
P2 Co1 P3 O3P 33.22(7) . .
C17 Co1 P3 O2C 13.91(9) . .
C16 Co1 P3 O2C 51.57(9) . .
C15 Co1 P3 O2C 83.42(9) . .
C14 Co1 P3 O2C 76.10(15) . .
C13 Co1 P3 O2C 3.59(12) . .
P1 Co1 P3 O2C -179.65(6) . .
P2 Co1 P3 O2C -89.73(6) . .
C17 Co1 P3 O1C -95.41(9) . .
C16 Co1 P3 O1C -57.75(9) . .
C15 Co1 P3 O1C -25.90(9) . .
C14 Co1 P3 O1C -33.22(16) . .
C13 Co1 P3 O1C -105.73(11) . .
P1 Co1 P3 O1C 71.03(6) . .
P2 Co1 P3 O1C 160.95(6) . .
O3 V1 O1 P4 -7.85(12) . 2_665
O2 V1 O1 P4 91.84(10) . 2_665
O1P V1 O1 P4 177.61(15) . 2_665
O3P V1 O1 P4 -104.57(10) . 2_665
O2P V1 O1 P4 172.62(11) . 2_665
O1 P4 O2 V1 58.19(13) 2_665 .
C1 P4 O2 V1 -178.36(10) . .
C7 P4 O2 V1 -64.34(13) . .
O3 V1 O2 P4 -1.26(12) . .
O1 V1 O2 P4 -100.31(11) . .
O1P V1 O2 P4 96.27(11) . .
O3P V1 O2 P4 177.58(14) . .
O2P V1 O2 P4 177.75(11) . .
O2A P1 O1P V1 132.63(12) . .
O1A P1 O1P V1 -120.05(12) . .
Co1 P1 O1P V1 10.70(15) . .
O3 V1 O1P P1 -140.05(13) . .
O2 V1 O1P P1 120.43(13) . .
O1 V1 O1P P1 34.5(3) . .
O3P V1 O1P P1 -43.20(13) . .
O2P V1 O1P P1 39.51(12) . .
O1B P2 O2P V1 141.12(9) . .
O2B P2 O2P V1 -111.26(10) . .
Co1 P2 O2P V1 18.34(12) . .
O2 V1 O2P P2 -146.47(11) . .
O1 V1 O2P P2 122.33(11) . .
O1P V1 O2P P2 -56.23(10) . .
O3P V1 O2P P2 33.48(10) . .
O2C P3 O3P V1 151.73(10) . .
O1C P3 O3P V1 -99.98(11) . .
Co1 P3 O3P V1 29.82(13) . .
O3 V1 O3P P3 116.60(12) . .
O2 V1 O3P P3 -62.3(2) . .
O1 V1 O3P P3 -144.66(11) . .
O1P V1 O3P P3 19.10(11) . .
O2P V1 O3P P3 -62.42(11) . .
O1P P1 O1A C1A 33.13(18) . .
O2A P1 O1A C1A 146.19(16) . .
Co1 P1 O1A C1A -99.89(15) . .
O2P P2 O1B C1B 50.25(17) . .
O2B P2 O1B C1B -63.33(16) . .
Co1 P2 O1B C1B 179.92(14) . .
O3P P3 O1C C1C 27.15(17) . .
O2C P3 O1C C1C 140.88(15) . .
Co1 P3 O1C C1C -106.09(15) . .
O1P P1 O2A C3A 46.90(17) . .
O1A P1 O2A C3A -65.99(16) . .
Co1 P1 O2A C3A 175.19(14) . .
O2P P2 O2B C3B 36.47(17) . .
O1B P2 O2B C3B 151.50(15) . .
Co1 P2 O2B C3B -96.47(15) . .
O3P P3 O2C C3C 58.17(16) . .
O1C P3 O2C C3C -55.15(16) . .
Co1 P3 O2C C3C -172.68(13) . .
O2 P4 C1 C6 -167.61(15) . .
O1 P4 C1 C6 -39.64(18) 2_665 .
C7 P4 C1 C6 76.00(17) . .
O2 P4 C1 C2 12.95(17) . .
O1 P4 C1 C2 140.92(15) 2_665 .
C7 P4 C1 C2 -103.44(16) . .
P2 O1B C1B C2B 118.81(19) . .
P1 O1A C1A C2A -147.30(16) . .
P3 O1C C1C C2C -105.73(19) . .
C6 C1 C2 C3 0.1(3) . .
P4 C1 C2 C3 179.51(14) . .
C1 C2 C3 C4 0.2(3) . .
P3 O2C C3C C4C -131.31(16) . .
P2 O2B C3B C4B -121.29(17) . .
P1 O2A C3A C4A 115.05(19) . .
C2 C3 C4 C5 -0.3(3) . .
C3 C4 C5 C6 0.1(3) . .
C2 C1 C6 C5 -0.3(3) . .
P4 C1 C6 C5 -179.72(17) . .
C4 C5 C6 C1 0.2(3) . .
O2 P4 C7 C8 99.37(17) . .
O1 P4 C7 C8 -29.14(19) 2_665 .
C1 P4 C7 C8 -146.80(17) . .
O2 P4 C7 C12 -75.82(17) . .
O1 P4 C7 C12 155.67(16) 2_665 .
C1 P4 C7 C12 38.00(18) . .
C12 C7 C8 C9 1.1(3) . .
P4 C7 C8 C9 -174.16(17) . .
C7 C8 C9 C10 0.3(3) . .
C8 C9 C10 C11 -1.4(4) . .
C9 C10 C11 C12 1.1(3) . .
C10 C11 C12 C7 0.4(3) . .
C8 C7 C12 C11 -1.4(3) . .
P4 C7 C12 C11 173.85(16) . .
C17 Co1 C13 C14 119.44(19) . .
C16 Co1 C13 C14 81.26(14) . .
C15 Co1 C13 C14 38.12(13) . .
P3 Co1 C13 C14 135.39(12) . .
P1 Co1 C13 C14 -40.43(15) . .
P2 Co1 C13 C14 -131.31(12) . .
C16 Co1 C13 C17 -38.18(13) . .
C15 Co1 C13 C17 -81.31(14) . .
C14 Co1 C13 C17 -119.44(19) . .
P3 Co1 C13 C17 15.96(18) . .
P1 Co1 C13 C17 -159.86(10) . .
P2 Co1 C13 C17 109.25(12) . .
C17 C13 C14 C15 -0.7(2) . .
Co1 C13 C14 C15 -60.15(14) . .
C17 C13 C14 Co1 59.50(14) . .
C17 Co1 C14 C13 -37.22(13) . .
C16 Co1 C14 C13 -80.81(14) . .
C15 Co1 C14 C13 -118.25(18) . .
P3 Co1 C14 C13 -107.70(17) . .
P1 Co1 C14 C13 149.64(12) . .
P2 Co1 C14 C13 56.53(13) . .
C17 Co1 C14 C15 81.03(14) . .
C16 Co1 C14 C15 37.44(13) . .
C13 Co1 C14 C15 118.25(18) . .
P3 Co1 C14 C15 10.6(2) . .
P1 Co1 C14 C15 -92.11(12) . .
P2 Co1 C14 C15 174.78(11) . .
C13 C14 C15 C16 0.0(2) . .
Co1 C14 C15 C16 -60.46(14) . .
C13 C14 C15 Co1 60.51(14) . .
C17 Co1 C15 C16 37.57(13) . .
C14 Co1 C15 C16 118.48(19) . .
C13 Co1 C15 C16 80.91(14) . .
P3 Co1 C15 C16 -56.20(14) . .
P1 Co1 C15 C16 -148.88(12) . .
P2 Co1 C15 C16 107.10(18) . .
C17 Co1 C15 C14 -80.92(14) . .
C16 Co1 C15 C14 -118.48(19) . .
C13 Co1 C15 C14 -37.58(13) . .
P3 Co1 C15 C14 -174.68(11) . .
P1 Co1 C15 C14 92.64(12) . .
P2 Co1 C15 C14 -11.4(2) . .
C14 C15 C16 C17 0.6(2) . .
Co1 C15 C16 C17 -59.81(14) . .
C14 C15 C16 Co1 60.38(14) . .
C17 Co1 C16 C15 -119.10(19) . .
C14 Co1 C16 C15 -38.00(14) . .
C13 Co1 C16 C15 -81.15(14) . .
P3 Co1 C16 C15 129.79(13) . .
P1 Co1 C16 C15 41.20(16) . .
P2 Co1 C16 C15 -140.58(12) . .
C15 Co1 C16 C17 119.10(19) . .
C14 Co1 C16 C17 81.10(14) . .
C13 Co1 C16 C17 37.95(13) . .
P3 Co1 C16 C17 -111.11(12) . .
P1 Co1 C16 C17 160.30(10) . .
P2 Co1 C16 C17 -21.48(17) . .
C14 C13 C17 C16 1.0(2) . .
Co1 C13 C17 C16 60.79(14) . .
C14 C13 C17 Co1 -59.78(14) . .
C15 C16 C17 C13 -1.0(2) . .
Co1 C16 C17 C13 -61.02(14) . .
C15 C16 C17 Co1 60.05(14) . .
C16 Co1 C17 C13 117.89(18) . .
C15 Co1 C17 C13 80.75(14) . .
C14 Co1 C17 C13 37.03(13) . .
P3 Co1 C17 C13 -169.74(12) . .
P1 Co1 C17 C13 59.6(3) . .
P2 Co1 C17 C13 -75.70(13) . .
C15 Co1 C17 C16 -37.14(13) . .
C14 Co1 C17 C16 -80.86(14) . .
C13 Co1 C17 C16 -117.89(18) . .
P3 Co1 C17 C16 72.37(12) . .
P1 Co1 C17 C16 -58.3(3) . .
P2 Co1 C17 C16 166.41(11) . .
