#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:19:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179963 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/57/7025730.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_7025730
loop_
_publ_author_name
'Bruce, Michael I.'
'Humphrey, Paul A.'
'Zaitseva, Natasha N.'
'Nicholson, Brian K.'
'Skelton, Brian W.'
'White, Allan H.'
_publ_section_title
;
 Conversion of C[triple bond]C to CO in alkynyl-metal complexes: oxidation
 of carbon chains capped by carbon-tricobalt clusters.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8801
_journal_page_last               8811
_journal_paper_doi               10.1039/c002997c
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C80 H48 Co6 O14 P4'
_chemical_formula_sum            'C80 H48 Co6 O14 P4'
_chemical_formula_weight         1710.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2008-11-05T15:33:39-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 112.622(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.4783(4)
_cell_length_b                   24.8382(5)
_cell_length_c                   13.2345(3)
_cell_measurement_reflns_used    9730
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.7926
_cell_measurement_theta_min      2.8545
_cell_volume                     3786.29(19)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0421142376
_diffrn_orient_matrix_UB_12      0.0179028548
_diffrn_orient_matrix_UB_13      -0.0051589594
_diffrn_orient_matrix_UB_21      0.0384481594
_diffrn_orient_matrix_UB_22      -0.0220653094
_diffrn_orient_matrix_UB_23      0.0062755947
_diffrn_orient_matrix_UB_31      -0.0235706723
_diffrn_orient_matrix_UB_32      -0.0040221365
_diffrn_orient_matrix_UB_33      -0.0575986956
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0736
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29608
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  .89
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.5
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1724
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0507P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1008
_reflns_number_gt                6065
_reflns_number_total             8689
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            c002997c.txt
_cod_data_source_block           br1438
_cod_database_code               7025730
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.79030(4) 0.409337(17) 0.32529(3) 0.01842(11) Uani 1 1 d .
Co2 Co 0.72238(4) 0.366787(17) 0.45914(3) 0.01861(11) Uani 1 1 d .
Co3 Co 0.77013(4) 0.464140(18) 0.47531(3) 0.02191(12) Uani 1 1 d .
C11 C 0.9459(3) 0.39912(13) 0.3757(3) 0.0251(8) Uani 1 1 d .
O11 O 1.0440(2) 0.39497(11) 0.4064(2) 0.0392(7) Uani 1 1 d .
C12 C 0.7681(3) 0.46272(14) 0.2287(3) 0.0259(8) Uani 1 1 d .
O12 O 0.7485(2) 0.49712(10) 0.1678(2) 0.0400(7) Uani 1 1 d .
C21 C 0.8584(3) 0.33300(14) 0.5244(3) 0.0248(8) Uani 1 1 d .
O21 O 0.9452(2) 0.31124(11) 0.5649(2) 0.0381(6) Uani 1 1 d .
C22 C 0.6647(3) 0.36512(15) 0.5628(3) 0.0303(8) Uani 1 1 d .
O22 O 0.6304(3) 0.36329(12) 0.6304(2) 0.0478(8) Uani 1 1 d .
C31 C 0.9172(3) 0.45729(14) 0.5766(3) 0.0280(8) Uani 1 1 d .
O31 O 1.0085(2) 0.45230(11) 0.6411(2) 0.0429(7) Uani 1 1 d .
C32 C 0.7606(3) 0.52877(16) 0.4121(3) 0.0324(9) Uani 1 1 d .
O32 O 0.7486(3) 0.56992(11) 0.3711(2) 0.0470(7) Uani 1 1 d .
C33 C 0.6842(3) 0.48145(16) 0.5514(3) 0.0359(9) Uani 1 1 d .
O33 O 0.6254(3) 0.49269(14) 0.5960(3) 0.0658(10) Uani 1 1 d .
P1 P 0.71785(7) 0.34515(3) 0.20300(6) 0.01873(18) Uani 1 1 d .
C111 C 0.6689(3) 0.36944(12) 0.0622(2) 0.0222(7) Uani 1 1 d .
C112 C 0.5633(3) 0.39551(15) 0.0142(3) 0.0310(8) Uani 1 1 d .
H112 H 0.5128 0.398 0.0525 0.037 Uiso 1 1 calc R
C113 C 0.5304(4) 0.41811(15) -0.0893(3) 0.0359(9) Uani 1 1 d .
H113 H 0.4574 0.4355 -0.1222 0.043 Uiso 1 1 calc R
C114 C 0.6041(4) 0.41513(14) -0.1442(3) 0.0373(10) Uani 1 1 d .
H114 H 0.5817 0.4303 -0.2152 0.045 Uiso 1 1 calc R
C115 C 0.7096(4) 0.39036(16) -0.0968(3) 0.0378(10) Uani 1 1 d .
H115 H 0.7603 0.3887 -0.135 0.045 Uiso 1 1 calc R
C116 C 0.7429(3) 0.36785(15) 0.0060(3) 0.0323(8) Uani 1 1 d .
H116 H 0.8168 0.3511 0.0386 0.039 Uiso 1 1 calc R
C121 C 0.8007(3) 0.28480(13) 0.2016(3) 0.0225(7) Uani 1 1 d .
C122 C 0.8985(3) 0.27012(14) 0.2914(3) 0.0258(8) Uani 1 1 d .
H122 H 0.9277 0.2933 0.3532 0.031 Uiso 1 1 calc R
C123 C 0.9541(3) 0.22151(14) 0.2915(3) 0.0332(9) Uani 1 1 d .
H123 H 1.0216 0.2117 0.3529 0.04 Uiso 1 1 calc R
C124 C 0.9114(4) 0.18775(15) 0.2026(3) 0.0366(9) Uani 1 1 d .
H124 H 0.9496 0.1546 0.2027 0.044 Uiso 1 1 calc R
C125 C 0.8141(4) 0.20165(15) 0.1138(3) 0.0410(10) Uani 1 1 d .
H125 H 0.785 0.1781 0.0528 0.049 Uiso 1 1 calc R
C126 C 0.7580(4) 0.24973(14) 0.1125(3) 0.0336(9) Uani 1 1 d .
H126 H 0.6902 0.259 0.0509 0.04 Uiso 1 1 calc R
C0 C 0.5862(3) 0.31642(13) 0.2122(2) 0.0199(7) Uani 1 1 d .
H0A H 0.5205 0.3417 0.1798 0.024 Uiso 1 1 calc R
H0B H 0.5661 0.2823 0.1704 0.024 Uiso 1 1 calc R
P2 P 0.61016(7) 0.30365(3) 0.35597(6) 0.01946(19) Uani 1 1 d .
C211 C 0.4600(3) 0.29900(14) 0.3475(2) 0.0235(7) Uani 1 1 d .
C212 C 0.4060(3) 0.34439(15) 0.3660(3) 0.0298(8) Uani 1 1 d .
H212 H 0.45 0.3763 0.3919 0.036 Uiso 1 1 calc R
C213 C 0.2890(3) 0.34403(17) 0.3474(3) 0.0372(9) Uani 1 1 d .
H213 H 0.2526 0.3758 0.3584 0.045 Uiso 1 1 calc R
C214 C 0.2258(3) 0.29768(18) 0.3131(3) 0.0410(10) Uani 1 1 d .
H214 H 0.1456 0.2972 0.3005 0.049 Uiso 1 1 calc R
C215 C 0.2793(3) 0.25158(17) 0.2968(3) 0.0390(10) Uani 1 1 d .
H215 H 0.2357 0.2193 0.274 0.047 Uiso 1 1 calc R
C216 C 0.3960(3) 0.25199(16) 0.3134(3) 0.0322(9) Uani 1 1 d .
H216 H 0.432 0.2203 0.3015 0.039 Uiso 1 1 calc R
C221 C 0.6648(3) 0.23494(13) 0.3877(3) 0.0232(7) Uani 1 1 d .
C222 C 0.7084(3) 0.21968(14) 0.4980(3) 0.0290(8) Uani 1 1 d .
H222 H 0.708 0.2446 0.5523 0.035 Uiso 1 1 calc R
C223 C 0.7520(3) 0.16867(15) 0.5279(3) 0.0354(9) Uani 1 1 d .
H223 H 0.7809 0.1584 0.6028 0.043 Uiso 1 1 calc R
C224 C 0.7542(3) 0.13244(15) 0.4502(3) 0.0340(9) Uani 1 1 d .
H224 H 0.7859 0.0975 0.4715 0.041 Uiso 1 1 calc R
C225 C 0.7101(3) 0.14686(14) 0.3413(3) 0.0315(9) Uani 1 1 d .
H225 H 0.7104 0.1216 0.2874 0.038 Uiso 1 1 calc R
C226 C 0.6656(3) 0.19772(14) 0.3102(3) 0.0266(8) Uani 1 1 d .
H226 H 0.6352 0.2073 0.235 0.032 Uiso 1 1 calc R
C1 C 0.6579(3) 0.42361(13) 0.3583(2) 0.0194(7) Uani 1 1 d .
C2 C 0.5466(3) 0.43909(13) 0.2897(2) 0.0214(7) Uani 1 1 d .
C3 C 0.4469(3) 0.44955(14) 0.2299(3) 0.0260(8) Uani 1 1 d .
C4 C 0.3332(3) 0.46045(14) 0.1699(3) 0.0283(8) Uani 1 1 d .
C5 C 0.2331(3) 0.47066(15) 0.1179(3) 0.0322(9) Uani 1 1 d .
C6 C 0.1148(3) 0.48497(15) 0.0583(3) 0.0302(8) Uani 1 1 d .
C7 C 0.0527(4) 0.5083(2) 0.1102(3) 0.0596(14) Uani 1 1 d .
H7 H 0.0879 0.5141 0.187 0.072 Uiso 1 1 calc R
C8 C 0.0617(4) 0.4759(2) -0.0538(3) 0.0618(15) Uani 1 1 d .
H8 H 0.1035 0.459 -0.0917 0.074 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
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
C12 Co1 C11 102.51(16) . .
C12 Co1 C1 96.68(15) . .
C11 Co1 C1 147.79(14) . .
C12 Co1 P1 96.01(11) . .
C11 Co1 P1 104.35(10) . .
C1 Co1 P1 99.02(10) . .
C12 Co1 Co2 145.73(12) . .
C11 Co1 Co2 106.89(11) . .
C1 Co1 Co2 49.23(9) . .
P1 Co1 Co2 93.44(3) . .
C12 Co1 Co3 97.38(11) . .
C11 Co1 Co3 101.84(10) . .
C1 Co1 Co3 49.65(9) . .
P1 Co1 Co3 147.12(3) . .
Co2 Co1 Co3 59.806(17) . .
C22 Co2 C21 101.95(16) . .
C22 Co2 C1 111.86(15) . .
C21 Co2 C1 139.08(15) . .
C22 Co2 P2 96.46(12) . .
C21 Co2 P2 103.00(11) . .
C1 Co2 P2 95.60(10) . .
C22 Co2 Co1 156.02(12) . .
C21 Co2 Co1 91.35(11) . .
C1 Co2 Co1 49.29(10) . .
P2 Co2 Co1 99.90(3) . .
C22 Co2 Co3 96.39(12) . .
C21 Co2 Co3 105.29(11) . .
C1 Co2 Co3 50.03(9) . .
P2 Co2 Co3 145.62(3) . .
Co1 Co2 Co3 60.556(17) . .
C33 Co3 C32 95.82(18) . .
C33 Co3 C31 105.18(16) . .
C32 Co3 C31 107.16(17) . .
C33 Co3 C1 99.84(15) . .
C32 Co3 C1 101.29(14) . .
C31 Co3 C1 139.51(14) . .
C33 Co3 Co2 96.15(13) . .
C32 Co3 Co2 149.57(11) . .
C31 Co3 Co2 96.51(11) . .
C1 Co3 Co2 49.02(9) . .
C33 Co3 Co1 147.82(12) . .
C32 Co3 Co1 97.23(11) . .
C31 Co3 Co1 98.84(11) . .
C1 Co3 Co1 48.71(9) . .
Co2 Co3 Co1 59.638(17) . .
O11 C11 Co1 177.1(3) . .
O12 C12 Co1 176.4(3) . .
O21 C21 Co2 179.2(3) . .
O22 C22 Co2 178.2(4) . .
O31 C31 Co3 178.7(4) . .
O32 C32 Co3 176.4(4) . .
O33 C33 Co3 177.2(4) . .
C121 P1 C111 103.24(15) . .
C121 P1 C0 101.89(15) . .
C111 P1 C0 103.86(15) . .
C121 P1 Co1 121.88(11) . .
C111 P1 Co1 113.10(11) . .
C0 P1 Co1 110.92(10) . .
C112 C111 C116 118.6(3) . .
C112 C111 P1 120.5(3) . .
C116 C111 P1 120.4(3) . .
C111 C112 C113 120.6(3) . .
C111 C112 H112 119.7 . .
C113 C112 H112 119.7 . .
C114 C113 C112 119.7(4) . .
C114 C113 H113 120.2 . .
C112 C113 H113 120.2 . .
C115 C114 C113 120.3(3) . .
C115 C114 H114 119.9 . .
C113 C114 H114 119.9 . .
C114 C115 C116 120.4(4) . .
C114 C115 H115 119.8 . .
C116 C115 H115 119.8 . .
C115 C116 C111 120.5(4) . .
C115 C116 H116 119.8 . .
C111 C116 H116 119.8 . .
C122 C121 C126 119.0(3) . .
C122 C121 P1 121.5(2) . .
C126 C121 P1 119.2(3) . .
C121 C122 C123 120.2(3) . .
C121 C122 H122 119.9 . .
C123 C122 H122 119.9 . .
C124 C123 C122 120.0(3) . .
C124 C123 H123 120 . .
C122 C123 H123 120 . .
C125 C124 C123 120.3(3) . .
C125 C124 H124 119.9 . .
C123 C124 H124 119.9 . .
C124 C125 C126 120.4(4) . .
C124 C125 H125 119.8 . .
C126 C125 H125 119.8 . .
C125 C126 C121 120.1(4) . .
C125 C126 H126 119.9 . .
C121 C126 H126 119.9 . .
P2 C0 P1 110.01(16) . .
P2 C0 H0A 109.7 . .
P1 C0 H0A 109.7 . .
P2 C0 H0B 109.7 . .
P1 C0 H0B 109.7 . .
H0A C0 H0B 108.2 . .
C221 P2 C0 107.30(15) . .
C221 P2 C211 103.73(16) . .
C0 P2 C211 101.04(14) . .
C221 P2 Co2 115.62(11) . .
C0 P2 Co2 109.39(11) . .
C211 P2 Co2 118.35(11) . .
C212 C211 C216 119.0(3) . .
C212 C211 P2 119.5(3) . .
C216 C211 P2 121.2(3) . .
C211 C212 C213 121.0(4) . .
C211 C212 H212 119.5 . .
C213 C212 H212 119.5 . .
C214 C213 C212 119.8(4) . .
C214 C213 H213 120.1 . .
C212 C213 H213 120.1 . .
C213 C214 C215 119.8(4) . .
C213 C214 H214 120.1 . .
C215 C214 H214 120.1 . .
C214 C215 C216 120.6(4) . .
C214 C215 H215 119.7 . .
C216 C215 H215 119.7 . .
C215 C216 C211 119.7(4) . .
C215 C216 H216 120.2 . .
C211 C216 H216 120.2 . .
C226 C221 C222 118.8(3) . .
C226 C221 P2 124.2(2) . .
C222 C221 P2 117.0(3) . .
C223 C222 C221 120.1(3) . .
C223 C222 H222 119.9 . .
C221 C222 H222 119.9 . .
C224 C223 C222 120.5(3) . .
C224 C223 H223 119.8 . .
C222 C223 H223 119.8 . .
C223 C224 C225 119.8(3) . .
C223 C224 H224 120.1 . .
C225 C224 H224 120.1 . .
C226 C225 C224 120.2(3) . .
C226 C225 H225 119.9 . .
C224 C225 H225 119.9 . .
C225 C226 C221 120.6(3) . .
C225 C226 H226 119.7 . .
C221 C226 H226 119.7 . .
C2 C1 Co2 135.4(3) . .
C2 C1 Co1 129.9(2) . .
Co2 C1 Co1 81.48(13) . .
C2 C1 Co3 128.0(2) . .
Co2 C1 Co3 80.94(12) . .
Co1 C1 Co3 81.64(13) . .
C3 C2 C1 176.1(4) . .
C2 C3 C4 175.4(4) . .
C5 C4 C3 179.1(4) . .
C4 C5 C6 177.6(4) . .
C7 C6 C8 118.8(3) . .
C7 C6 C5 120.1(3) . .
C8 C6 C5 121.1(3) . .
C6 C7 C8 121.4(4) . 3_565
C6 C7 H7 119.3 . .
C8 C7 H7 119.3 3_565 .
C7 C8 C6 119.8(4) 3_565 .
C7 C8 H8 120.1 3_565 .
C6 C8 H8 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C12 1.787(4) .
Co1 C11 1.812(4) .
Co1 C1 1.898(3) .
Co1 P1 2.2029(9) .
Co1 Co2 2.4756(6) .
Co1 Co3 2.4985(6) .
Co2 C22 1.778(4) .
Co2 C21 1.790(4) .
Co2 C1 1.896(3) .
Co2 P2 2.1939(9) .
Co2 Co3 2.4799(6) .
Co3 C33 1.783(4) .
Co3 C32 1.793(4) .
Co3 C31 1.817(4) .
Co3 C1 1.925(3) .
C11 O11 1.136(4) .
C12 O12 1.136(4) .
C21 O21 1.143(4) .
C22 O22 1.131(4) .
C31 O31 1.137(4) .
C32 O32 1.140(4) .
C33 O33 1.139(4) .
P1 C121 1.825(3) .
P1 C111 1.826(3) .
P1 C0 1.838(3) .
C111 C112 1.384(5) .
C111 C116 1.391(5) .
C112 C113 1.389(5) .
C112 H112 0.95 .
C113 C114 1.375(5) .
C113 H113 0.95 .
C114 C115 1.367(6) .
C114 H114 0.95 .
C115 C116 1.379(5) .
C115 H115 0.95 .
C116 H116 0.95 .
C121 C122 1.386(5) .
C121 C126 1.396(5) .
C122 C123 1.392(5) .
C122 H122 0.95 .
C123 C124 1.374(5) .
C123 H123 0.95 .
C124 C125 1.370(5) .
C124 H124 0.95 .
C125 C126 1.381(5) .
C125 H125 0.95 .
C126 H126 0.95 .
C0 P2 1.836(3) .
C0 H0A 0.99 .
C0 H0B 0.99 .
P2 C221 1.826(3) .
P2 C211 1.837(3) .
C211 C212 1.382(5) .
C211 C216 1.388(5) .
C212 C213 1.385(5) .
C212 H212 0.95 .
C213 C214 1.370(6) .
C213 H213 0.95 .
C214 C215 1.384(6) .
C214 H214 0.95 .
C215 C216 1.386(5) .
C215 H215 0.95 .
C216 H216 0.95 .
C221 C226 1.383(5) .
C221 C222 1.399(4) .
C222 C223 1.376(5) .
C222 H222 0.95 .
C223 C224 1.374(5) .
C223 H223 0.95 .
C224 C225 1.378(5) .
C224 H224 0.95 .
C225 C226 1.378(5) .
C225 H225 0.95 .
C226 H226 0.95 .
C1 C2 1.390(4) .
C2 C3 1.218(5) .
C3 C4 1.361(5) .
C4 C5 1.198(5) .
C5 C6 1.426(5) .
C6 C7 1.348(5) .
C6 C8 1.391(5) .
C7 C8 1.388(6) 3_565
C7 H7 0.95 .
C8 C7 1.388(6) 3_565
C8 H8 0.95 .
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
C12 Co1 Co2 C22 -36.5(3)
C11 Co1 Co2 C22 111.5(3)
C1 Co1 Co2 C22 -43.5(3)
P1 Co1 Co2 C22 -142.4(3)
Co3 Co1 Co2 C22 17.4(3)
C12 Co1 Co2 C21 -160.7(2)
C11 Co1 Co2 C21 -12.74(15)
C1 Co1 Co2 C21 -167.68(16)
P1 Co1 Co2 C21 93.38(11)
Co3 Co1 Co2 C21 -106.84(11)
C12 Co1 Co2 C1 7.0(2)
C11 Co1 Co2 C1 154.93(16)
P1 Co1 Co2 C1 -98.94(12)
Co3 Co1 Co2 C1 60.83(12)
C12 Co1 Co2 P2 95.87(19)
C11 Co1 Co2 P2 -116.19(11)
C1 Co1 Co2 P2 88.88(12)
P1 Co1 Co2 P2 -10.06(4)
Co3 Co1 Co2 P2 149.71(3)
C12 Co1 Co2 Co3 -53.84(19)
C11 Co1 Co2 Co3 94.10(11)
C1 Co1 Co2 Co3 -60.83(12)
P1 Co1 Co2 Co3 -159.77(3)
C22 Co2 Co3 C33 -15.55(17)
C21 Co2 Co3 C33 -119.83(16)
C1 Co2 Co3 C33 97.71(17)
P2 Co2 Co3 C33 95.81(13)
Co1 Co2 Co3 C33 157.44(12)
C22 Co2 Co3 C32 -128.2(3)
C21 Co2 Co3 C32 127.6(3)
C1 Co2 Co3 C32 -14.9(3)
P2 Co2 Co3 C32 -16.8(3)
Co1 Co2 Co3 C32 44.8(2)
C22 Co2 Co3 C31 90.55(16)
C21 Co2 Co3 C31 -13.72(15)
C1 Co2 Co3 C31 -156.18(16)
P2 Co2 Co3 C31 -158.08(12)
Co1 Co2 Co3 C31 -96.46(11)
C22 Co2 Co3 C1 -113.26(17)
C21 Co2 Co3 C1 142.46(16)
P2 Co2 Co3 C1 -1.90(13)
Co1 Co2 Co3 C1 59.73(12)
C22 Co2 Co3 Co1 -172.99(12)
C21 Co2 Co3 Co1 82.74(11)
C1 Co2 Co3 Co1 -59.73(12)
P2 Co2 Co3 Co1 -61.63(6)
C12 Co1 Co3 C33 107.0(3)
C11 Co1 Co3 C33 -148.5(3)
C1 Co1 Co3 C33 14.5(3)
P1 Co1 Co3 C33 -6.3(3)
Co2 Co1 Co3 C33 -45.7(2)
C12 Co1 Co3 C32 -6.18(17)
C11 Co1 Co3 C32 98.31(17)
C1 Co1 Co3 C32 -98.70(18)
P1 Co1 Co3 C32 -119.44(13)
Co2 Co1 Co3 C32 -158.90(13)
C12 Co1 Co3 C31 -114.89(16)
C11 Co1 Co3 C31 -10.39(16)
C1 Co1 Co3 C31 152.59(17)
P1 Co1 Co3 C31 131.86(13)
Co2 Co1 Co3 C31 92.39(12)
C12 Co1 Co3 C1 92.52(17)
C11 Co1 Co3 C1 -162.99(17)
P1 Co1 Co3 C1 -20.73(13)
Co2 Co1 Co3 C1 -60.20(12)
C12 Co1 Co3 Co2 152.72(11)
C11 Co1 Co3 Co2 -102.79(11)
C1 Co1 Co3 Co2 60.20(12)
P1 Co1 Co3 Co2 39.47(6)
C12 Co1 C11 O11 29(6)
C1 Co1 C11 O11 -96(6)
P1 Co1 C11 O11 129(6)
Co2 Co1 C11 O11 -133(6)
Co3 Co1 C11 O11 -71(6)
C11 Co1 C12 O12 -161(5)
C1 Co1 C12 O12 -7(5)
P1 Co1 C12 O12 93(5)
Co2 Co1 C12 O12 -12(5)
Co3 Co1 C12 O12 -57(5)
C22 Co2 C21 O21 15E1(10)
C1 Co2 C21 O21 -6E1(2)
P2 Co2 C21 O21 6E1(2)
Co1 Co2 C21 O21 -5E1(2)
Co3 Co2 C21 O21 -11E1(2)
C21 Co2 C22 O22 -4(12)
C1 Co2 C22 O22 -160(12)
P2 Co2 C22 O22 101(12)
Co1 Co2 C22 O22 -126(12)
Co3 Co2 C22 O22 -111(12)
C33 Co3 C31 O31 56(17)
C32 Co3 C31 O31 157(17)
C1 Co3 C31 O31 -70(17)
Co2 Co3 C31 O31 -42(17)
Co1 Co3 C31 O31 -102(17)
C33 Co3 C32 O32 -42(5)
C31 Co3 C32 O32 -150(5)
C1 Co3 C32 O32 59(5)
Co2 Co3 C32 O32 71(5)
Co1 Co3 C32 O32 109(5)
C32 Co3 C33 O33 67(8)
C31 Co3 C33 O33 18E1(10)
C1 Co3 C33 O33 -36(8)
Co2 Co3 C33 O33 -85(8)
Co1 Co3 C33 O33 -47(8)
C12 Co1 P1 C121 124.59(17)
C11 Co1 P1 C121 20.01(17)
C1 Co1 P1 C121 -137.64(16)
Co2 Co1 P1 C121 -88.39(13)
Co3 Co1 P1 C121 -121.78(13)
C12 Co1 P1 C111 0.64(17)
C11 Co1 P1 C111 -103.93(17)
C1 Co1 P1 C111 98.41(16)
Co2 Co1 P1 C111 147.66(13)
Co3 Co1 P1 C111 114.27(13)
C12 Co1 P1 C0 -115.58(16)
C11 Co1 P1 C0 139.84(15)
C1 Co1 P1 C0 -17.81(15)
Co2 Co1 P1 C0 31.44(11)
Co3 Co1 P1 C0 -1.96(13)
C121 P1 C111 C112 147.4(3)
C0 P1 C111 C112 41.4(3)
Co1 P1 C111 C112 -79.0(3)
C121 P1 C111 C116 -40.3(3)
C0 P1 C111 C116 -146.4(3)
Co1 P1 C111 C116 93.3(3)
C116 C111 C112 C113 2.0(5)
P1 C111 C112 C113 174.4(3)
C111 C112 C113 C114 -0.8(6)
C112 C113 C114 C115 -0.4(6)
C113 C114 C115 C116 0.4(6)
C114 C115 C116 C111 0.8(6)
C112 C111 C116 C115 -2.0(5)
P1 C111 C116 C115 -174.4(3)
C111 P1 C121 C122 145.2(3)
C0 P1 C121 C122 -107.3(3)
Co1 P1 C121 C122 16.8(3)
C111 P1 C121 C126 -41.5(3)
C0 P1 C121 C126 66.0(3)
Co1 P1 C121 C126 -169.9(2)
C126 C121 C122 C123 1.2(5)
P1 C121 C122 C123 174.5(3)
C121 C122 C123 C124 -0.6(5)
C122 C123 C124 C125 -0.1(6)
C123 C124 C125 C126 0.1(6)
C124 C125 C126 C121 0.5(6)
C122 C121 C126 C125 -1.1(5)
P1 C121 C126 C125 -174.6(3)
C121 P1 C0 P2 85.71(18)
C111 P1 C0 P2 -167.25(16)
Co1 P1 C0 P2 -45.45(18)
P1 C0 P2 C221 -90.77(19)
P1 C0 P2 C211 160.93(17)
P1 C0 P2 Co2 35.36(18)
C22 Co2 P2 C221 -88.62(17)
C21 Co2 P2 C221 15.26(17)
C1 Co2 P2 C221 158.57(15)
Co1 Co2 P2 C221 108.98(12)
Co3 Co2 P2 C221 160.04(12)
C22 Co2 P2 C0 150.15(17)
C21 Co2 P2 C0 -105.96(16)
C1 Co2 P2 C0 37.35(15)
Co1 Co2 P2 C0 -12.25(12)
Co3 Co2 P2 C0 38.81(13)
C22 Co2 P2 C211 35.28(17)
C21 Co2 P2 C211 139.17(16)
C1 Co2 P2 C211 -77.52(15)
Co1 Co2 P2 C211 -127.12(12)
Co3 Co2 P2 C211 -76.06(13)
C221 P2 C211 C212 155.4(3)
C0 P2 C211 C212 -93.5(3)
Co2 P2 C211 C212 25.8(3)
C221 P2 C211 C216 -30.3(3)
