#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314534.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_4314534
loop_
_publ_author_name
'Carolina Avendano'
'Ferdi Karadas'
'Matthew Hilfiger'
'Michael Shatruk'
'Kim R. Dunbar'
_publ_contact_author_address
; 
Department of Chemistry
Texas A&M University
PO Box 30012 
College Station 
Texas 77842-3012 
USA
;
_publ_contact_author_email       dunbar@mail.chem.tamu.edu
_publ_contact_author_fax         (979)8457177
_publ_contact_author_name        'Dunbar, Kim R.'
_publ_contact_author_phone       (979)8625235
_publ_section_title
;
 Cyanide Lability and Linkage Isomerism of Hexacyanochromate(III) Induced
 by the Co(II) Ion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              583
_journal_page_last               594
_journal_paper_doi               10.1021/ic901681e
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C56 H43 B Co F4 N3 P4'
_chemical_formula_weight         1030.21
_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                97.372(2)
_cell_angle_beta                 92.307(2)
_cell_angle_gamma                111.0800(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4989(13)
_cell_length_b                   13.0929(16)
_cell_length_c                   19.029(2)
_cell_measurement_temperature    110(2)
_cell_volume                     2409.9(5)
_computing_cell_refinement       'SMART V5.625 (Bruker, 2000)'
_computing_data_collection       'SMART V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT V6.32 (Bruker, 2001)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'SMART APEX CCD area-detector'
_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  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25826
_diffrn_reflns_theta_full        28.44
_diffrn_reflns_theta_max         28.44
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  0.9473
_exptl_absorpt_correction_T_min  0.8985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03 (Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.141
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         10940
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0599P)²+2.7287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1223
_reflns_number_gt                8631
_reflns_number_total             10940
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901681e_si_001_5.cif
_cod_data_source_block           c:\users\Carolina\str5.cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314534
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.0000 0.0000 0.5000 0.01242(10) Uani 1 2 d S . .
Co2 Co -0.5000 0.5000 0.0000 0.01215(10) Uani 1 2 d S . .
P1 P 0.12686(6) 0.17281(5) 0.47510(3) 0.01422(13) Uani 1 1 d . . .
P2 P -0.07981(6) -0.03176(5) 0.37968(3) 0.01428(13) Uani 1 1 d . . .
P3 P -0.47914(6) 0.37209(5) 0.07054(3) 0.01429(13) Uani 1 1 d . . .
P4 P -0.49532(6) 0.60324(5) 0.10676(3) 0.01402(13) Uani 1 1 d . . .
F1 F -0.0795(2) 0.24703(16) 0.22039(13) 0.0521(6) Uani 1 1 d . . .
F2 F -0.2315(3) 0.33246(19) 0.22591(10) 0.0565(6) Uani 1 1 d . . .
F3 F -0.1192(3) 0.3268(2) 0.32555(12) 0.0655(7) Uani 1 1 d . . .
F4 F -0.2743(2) 0.17032(17) 0.26814(13) 0.0579(6) Uani 1 1 d . . .
N1 N 0.2174(2) -0.10111(18) 0.47811(11) 0.0216(4) Uani 1 1 d . . .
N2 N -0.1902(2) 0.59387(17) 0.03162(12) 0.0214(4) Uani 1 1 d . . .
N3 N -0.3073(4) 0.5008(3) 0.6012(2) 0.0668(10) Uani 1 1 d . . .
C1 C 0.1382(2) -0.05908(19) 0.48486(12) 0.0161(5) Uani 1 1 d . . .
C2 C 0.0186(3) 0.2024(2) 0.40923(13) 0.0193(5) Uani 1 1 d . . .
C3 C -0.0357(3) 0.1043(2) 0.34882(13) 0.0204(5) Uani 1 1 d . . .
C4 C 0.2843(2) 0.18592(19) 0.43432(13) 0.0180(5) Uani 1 1 d . . .
C5 C 0.3832(2) 0.1601(2) 0.47137(14) 0.0208(5) Uani 1 1 d . . .
H5 H 0.3646 0.1326 0.5152 0.025 Uiso 1 1 calc R . .
C6 C 0.5083(3) 0.1743(2) 0.44471(17) 0.0299(6) Uani 1 1 d . . .
H6 H 0.5755 0.1573 0.4705 0.036 Uiso 1 1 calc R . .
C7 C 0.5351(3) 0.2127(2) 0.38124(18) 0.0354(7) Uani 1 1 d . . .
H7 H 0.6210 0.2224 0.3631 0.042 Uiso 1 1 calc R . .
C8 C 0.4374(3) 0.2374(2) 0.34341(16) 0.0335(7) Uani 1 1 d . . .
H8 H 0.4559 0.2626 0.2989 0.040 Uiso 1 1 calc R . .
C9 C 0.3123(3) 0.2255(2) 0.37012(14) 0.0253(5) Uani 1 1 d . . .
H9 H 0.2464 0.2443 0.3446 0.030 Uiso 1 1 calc R . .
C10 C 0.1774(2) 0.29532(19) 0.54309(13) 0.0175(5) Uani 1 1 d . . .
C11 C 0.3088(3) 0.3766(2) 0.54807(14) 0.0218(5) Uani 1 1 d . . .
H11 H 0.3723 0.3680 0.5159 0.026 Uiso 1 1 calc R . .
C12 C 0.3468(3) 0.4694(2) 0.59958(15) 0.0264(6) Uani 1 1 d . . .
H12 H 0.4365 0.5241 0.6028 0.032 Uiso 1 1 calc R . .
C13 C 0.2548(3) 0.4831(2) 0.64651(15) 0.0301(6) Uani 1 1 d . . .
H13 H 0.2811 0.5469 0.6819 0.036 Uiso 1 1 calc R . .
C14 C 0.1237(3) 0.4030(2) 0.64157(15) 0.0283(6) Uani 1 1 d . . .
H14 H 0.0604 0.4122 0.6737 0.034 Uiso 1 1 calc R . .
C15 C 0.0847(3) 0.3099(2) 0.59012(13) 0.0214(5) Uani 1 1 d . . .
H15 H -0.0054 0.2558 0.5869 0.026 Uiso 1 1 calc R . .
C16 C -0.0080(2) -0.10009(19) 0.31027(13) 0.0171(5) Uani 1 1 d . . .
C17 C -0.0845(3) -0.1566(2) 0.24640(13) 0.0206(5) Uani 1 1 d . . .
H17 H -0.1794 -0.1688 0.2404 0.025 Uiso 1 1 calc R . .
C18 C -0.0228(3) -0.1953(2) 0.19125(14) 0.0237(5) Uani 1 1 d . . .
H18 H -0.0760 -0.2352 0.1481 0.028 Uiso 1 1 calc R . .
C19 C 0.1158(3) -0.1759(2) 0.19893(14) 0.0220(5) Uani 1 1 d . . .
H19 H 0.1579 -0.2027 0.1613 0.026 Uiso 1 1 calc R . .
C20 C 0.1930(3) -0.1171(2) 0.26189(14) 0.0220(5) Uani 1 1 d . . .
H20 H 0.2885 -0.1028 0.2671 0.026 Uiso 1 1 calc R . .
C21 C 0.1325(2) -0.0792(2) 0.31698(13) 0.0196(5) Uani 1 1 d . . .
H21 H 0.1865 -0.0386 0.3598 0.023 Uiso 1 1 calc R . .
C22 C -0.2653(2) -0.0980(2) 0.36150(12) 0.0168(5) Uani 1 1 d . . .
C23 C -0.3466(2) -0.0339(2) 0.37021(13) 0.0198(5) Uani 1 1 d . . .
H23 H -0.3047 0.0446 0.3796 0.024 Uiso 1 1 calc R . .
C24 C -0.4883(3) -0.0845(2) 0.36512(14) 0.0241(5) Uani 1 1 d . . .
H24 H -0.5430 -0.0406 0.3715 0.029 Uiso 1 1 calc R . .
C25 C -0.5502(3) -0.1987(2) 0.35073(14) 0.0248(6) Uani 1 1 d . . .
H25 H -0.6472 -0.2329 0.3484 0.030 Uiso 1 1 calc R . .
C26 C -0.4714(3) -0.2632(2) 0.33964(13) 0.0214(5) Uani 1 1 d . . .
H26 H -0.5142 -0.3414 0.3284 0.026 Uiso 1 1 calc R . .
C27 C -0.3290(2) -0.2129(2) 0.34499(12) 0.0180(5) Uani 1 1 d . . .
H27 H -0.2748 -0.2572 0.3373 0.022 Uiso 1 1 calc R . .
C28 C -0.3067(2) 0.55788(19) 0.01600(12) 0.0159(5) Uani 1 1 d . . .
C29 C -0.4031(3) 0.4505(2) 0.16053(13) 0.0220(5) Uani 1 1 d . . .
C30 C -0.3809(2) 0.5734(2) 0.16903(13) 0.0180(5) Uani 1 1 d . . .
C31 C -0.3639(2) 0.30032(19) 0.04411(12) 0.0165(5) Uani 1 1 d . . .
C32 C -0.4142(3) 0.1932(2) 0.00608(13) 0.0203(5) Uani 1 1 d . . .
H32 H -0.5101 0.1559 -0.0056 0.024 Uiso 1 1 calc R . .
C33 C -0.3252(3) 0.1409(2) -0.01485(15) 0.0280(6) Uani 1 1 d . . .
H33 H -0.3604 0.0679 -0.0407 0.034 Uiso 1 1 calc R . .
C34 C -0.1847(3) 0.1948(3) 0.00179(15) 0.0319(6) Uani 1 1 d . . .
H34 H -0.1238 0.1593 -0.0134 0.038 Uiso 1 1 calc R . .
C35 C -0.1339(3) 0.3000(2) 0.04039(15) 0.0273(6) Uani 1 1 d . . .
H35 H -0.0380 0.3363 0.0525 0.033 Uiso 1 1 calc R . .
C36 C -0.2218(2) 0.3530(2) 0.06166(14) 0.0217(5) Uani 1 1 d . . .
H36 H -0.1858 0.4254 0.0883 0.026 Uiso 1 1 calc R . .
C37 C -0.6262(3) 0.2617(2) 0.09655(13) 0.0194(5) Uani 1 1 d . . .
C38 C -0.7573(3) 0.2647(2) 0.09527(14) 0.0221(5) Uani 1 1 d . . .
H38 H -0.7760 0.3205 0.0743 0.026 Uiso 1 1 calc R . .
C39 C -0.8610(3) 0.1870(2) 0.12428(15) 0.0292(6) Uani 1 1 d . . .
H39 H -0.9502 0.1898 0.1232 0.035 Uiso 1 1 calc R . .
C40 C -0.8351(3) 0.1055(2) 0.15479(17) 0.0328(6) Uani 1 1 d . . .
H40 H -0.9068 0.0511 0.1736 0.039 Uiso 1 1 calc R . .
C41 C -0.7046(3) 0.1033(3) 0.15785(18) 0.0381(7) Uani 1 1 d . . .
H41 H -0.6866 0.0479 0.1796 0.046 Uiso 1 1 calc R . .
C42 C -0.6001(3) 0.1806(2) 0.12969(16) 0.0300(6) Uani 1 1 d . . .
H42 H -0.5103 0.1789 0.1328 0.036 Uiso 1 1 calc R . .
C43 C -0.4200(2) 0.75402(19) 0.11825(12) 0.0169(5) Uani 1 1 d . . .
C44 C -0.3037(2) 0.8059(2) 0.08440(13) 0.0200(5) Uani 1 1 d . . .
H44 H -0.2667 0.7624 0.0540 0.024 Uiso 1 1 calc R . .
C45 C -0.2418(3) 0.9201(2) 0.09484(14) 0.0249(5) Uani 1 1 d . . .
H45 H -0.1636 0.9547 0.0709 0.030 Uiso 1 1 calc R . .
C46 C -0.2934(3) 0.9842(2) 0.13989(15) 0.0285(6) Uani 1 1 d . . .
H46 H -0.2508 1.0627 0.1469 0.034 Uiso 1 1 calc R . .
C47 C -0.4073(3) 0.9334(2) 0.17470(14) 0.0257(6) Uani 1 1 d . . .
H47 H -0.4420 0.9773 0.2062 0.031 Uiso 1 1 calc R . .
C48 C -0.4714(3) 0.8189(2) 0.16397(13) 0.0213(5) Uani 1 1 d . . .
H48 H -0.5500 0.7847 0.1877 0.026 Uiso 1 1 calc R . .
C49 C -0.6583(2) 0.56994(19) 0.14476(13) 0.0170(5) Uani 1 1 d . . .
C50 C -0.7609(3) 0.5964(2) 0.11129(14) 0.0209(5) Uani 1 1 d . . .
H50 H -0.7416 0.6354 0.0718 0.025 Uiso 1 1 calc R . .
C51 C -0.8897(3) 0.5665(2) 0.13504(15) 0.0249(6) Uani 1 1 d . . .
H51 H -0.9584 0.5852 0.1121 0.030 Uiso 1 1 calc R . .
C52 C -0.9190(3) 0.5091(2) 0.19231(15) 0.0289(6) Uani 1 1 d . . .
H52 H -1.0082 0.4875 0.2082 0.035 Uiso 1 1 calc R . .
C53 C -0.8184(3) 0.4832(2) 0.22636(15) 0.0300(6) Uani 1 1 d . . .
H53 H -0.8382 0.4444 0.2659 0.036 Uiso 1 1 calc R . .
C54 C -0.6879(3) 0.5139(2) 0.20278(14) 0.0233(5) Uani 1 1 d . . .
H54 H -0.6188 0.4964 0.2265 0.028 Uiso 1 1 calc R . .
C55 C -0.2500(4) 0.4572(3) 0.5663(2) 0.0524(10) Uani 1 1 d . . .
C56 C -0.1791(4) 0.4001(4) 0.5219(3) 0.0675(13) Uani 1 1 d . . .
H56A H -0.2155 0.3212 0.5262 0.101 Uiso 1 1 calc R . .
H56B H -0.0809 0.4316 0.5375 0.101 Uiso 1 1 calc R . .
H56C H -0.1933 0.4090 0.4722 0.101 Uiso 1 1 calc R . .
B1 B -0.1765(3) 0.2699(3) 0.25933(18) 0.0284(7) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
F F 0.0171 0.0103 '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'
B B 0.0013 0.0007 '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
C1 Co1 C1 180.000(1) 2_556 . ?
C1 Co1 P1 84.55(7) 2_556 . ?
C1 Co1 P1 95.45(7) . . ?
C1 Co1 P1 95.45(7) 2_556 2_556 ?
C1 Co1 P1 84.55(7) . 2_556 ?
P1 Co1 P1 180.0 . 2_556 ?
C1 Co1 P2 85.21(7) 2_556 . ?
C1 Co1 P2 94.79(7) . . ?
P1 Co1 P2 82.99(2) . . ?
P1 Co1 P2 97.01(2) 2_556 . ?
C1 Co1 P2 94.79(7) 2_556 2_556 ?
C1 Co1 P2 85.21(7) . 2_556 ?
P1 Co1 P2 97.01(2) . 2_556 ?
P1 Co1 P2 82.99(2) 2_556 2_556 ?
P2 Co1 P2 180.0 . 2_556 ?
C28 Co2 C28 180.00(6) 2_465 . ?
C28 Co2 P4 85.66(7) 2_465 2_465 ?
C28 Co2 P4 94.34(7) . 2_465 ?
C28 Co2 P4 94.34(7) 2_465 . ?
C28 Co2 P4 85.66(7) . . ?
P4 Co2 P4 180.000(17) 2_465 . ?
C28 Co2 P3 82.60(7) 2_465 2_465 ?
C28 Co2 P3 97.40(7) . 2_465 ?
P4 Co2 P3 83.75(2) 2_465 2_465 ?
P4 Co2 P3 96.25(2) . 2_465 ?
C28 Co2 P3 97.40(7) 2_465 . ?
C28 Co2 P3 82.60(7) . . ?
P4 Co2 P3 96.25(2) 2_465 . ?
P4 Co2 P3 83.75(2) . . ?
P3 Co2 P3 180.00(3) 2_465 . ?
C4 P1 C10 103.57(11) . . ?
C4 P1 C2 105.47(12) . . ?
C10 P1 C2 102.85(11) . . ?
C4 P1 Co1 116.17(8) . . ?
C10 P1 Co1 121.43(8) . . ?
C2 P1 Co1 105.60(8) . . ?
C22 P2 C16 105.71(11) . . ?
C22 P2 C3 105.09(11) . . ?
C16 P2 C3 98.89(11) . . ?
C22 P2 Co1 114.51(8) . . ?
C16 P2 Co1 122.36(8) . . ?
C3 P2 Co1 107.98(8) . . ?
C31 P3 C37 102.75(11) . . ?
C31 P3 C29 104.12(11) . . ?
C37 P3 C29 99.12(12) . . ?
C31 P3 Co2 117.25(8) . . ?
C37 P3 Co2 123.50(8) . . ?
C29 P3 Co2 107.18(8) . . ?
C49 P4 C43 105.72(11) . . ?
C49 P4 C30 106.34(11) . . ?
C43 P4 C30 101.10(11) . . ?
C49 P4 Co2 115.24(8) . . ?
C43 P4 Co2 120.59(8) . . ?
C30 P4 Co2 106.12(8) . . ?
N1 C1 Co1 175.2(2) . . ?
C3 C2 P1 109.09(16) . . ?
C2 C3 P2 113.40(17) . . ?
C9 C4 C5 119.2(2) . . ?
C9 C4 P1 122.8(2) . . ?
C5 C4 P1 117.89(19) . . ?
C6 C5 C4 120.5(3) . . ?
C7 C6 C5 120.1(3) . . ?
C6 C7 C8 120.1(3) . . ?
C7 C8 C9 120.4(3) . . ?
C4 C9 C8 119.7(3) . . ?
C15 C10 C11 119.1(2) . . ?
C15 C10 P1 120.44(19) . . ?
C11 C10 P1 120.45(19) . . ?
C12 C11 C10 120.4(3) . . ?
C11 C12 C13 120.3(3) . . ?
C12 C13 C14 119.6(2) . . ?
C15 C14 C13 120.5(3) . . ?
C14 C15 C10 120.1(3) . . ?
C17 C16 C21 118.9(2) . . ?
C17 C16 P2 121.47(18) . . ?
C21 C16 P2 118.74(18) . . ?
C16 C17 C18 120.3(2) . . ?
C19 C18 C17 120.3(2) . . ?
C18 C19 C20 119.5(2) . . ?
C21 C20 C19 120.6(2) . . ?
C20 C21 C16 120.4(2) . . ?
C27 C22 C23 119.0(2) . . ?
C27 C22 P2 121.23(18) . . ?
C23 C22 P2 119.51(18) . . ?
C24 C23 C22 120.1(2) . . ?
C25 C24 C23 120.4(2) . . ?
C24 C25 C26 120.2(2) . . ?
C25 C26 C27 119.8(2) . . ?
C26 C27 C22 120.5(2) . . ?
N2 C28 Co2 174.4(2) . . ?
C30 C29 P3 114.31(17) . . ?
C29 C30 P4 112.64(16) . . ?
C32 C31 C36 118.6(2) . . ?
C32 C31 P3 121.23(18) . . ?
C36 C31 P3 120.19(18) . . ?
C33 C32 C31 120.5(2) . . ?
C32 C33 C34 120.2(3) . . ?
C35 C34 C33 119.8(2) . . ?
C34 C35 C36 120.5(3) . . ?
C35 C36 C31 120.4(2) . . ?
C38 C37 C42 118.7(2) . . ?
C38 C37 P3 122.82(19) . . ?
C42 C37 P3 117.72(19) . . ?
C39 C38 C37 120.5(2) . . ?
C40 C39 C38 120.2(3) . . ?
C41 C40 C39 119.7(3) . . ?
C42 C41 C40 120.8(3) . . ?
C41 C42 C37 120.0(3) . . ?
C48 C43 C44 119.1(2) . . ?
C48 C43 P4 121.13(19) . . ?
C44 C43 P4 119.65(18) . . ?
C45 C44 C43 120.5(2) . . ?
C46 C45 C44 120.3(3) . . ?
C45 C46 C47 119.6(2) . . ?
C46 C47 C48 120.6(2) . . ?
C47 C48 C43 119.9(2) . . ?
C54 C49 C50 118.9(2) . . ?
C54 C49 P4 122.84(19) . . ?
C50 C49 P4 118.15(19) . . ?
C51 C50 C49 120.6(2) . . ?
C50 C51 C52 120.1(2) . . ?
C53 C52 C51 119.9(2) . . ?
C52 C53 C54 120.1(3) . . ?
C49 C54 C53 120.3(2) . . ?
N3 C55 C56 179.0(4) . . ?
F2 B1 F3 108.4(2) . . ?
F2 B1 F4 111.9(3) . . ?
F3 B1 F4 107.8(3) . . ?
F2 B1 F1 110.7(3) . . ?
F3 B1 F1 110.7(3) . . ?
F4 B1 F1 107.4(2) . . ?
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
Co1 C1 1.889(2) 2_556 ?
Co1 C1 1.889(2) . ?
Co1 P1 2.2969(6) . ?
Co1 P1 2.2969(6) 2_556 ?
Co1 P2 2.3383(6) . ?
Co1 P2 2.3383(6) 2_556 ?
Co2 C28 1.889(2) 2_465 ?
Co2 C28 1.889(2) . ?
Co2 P4 2.2795(6) 2_465 ?
Co2 P4 2.2795(6) . ?
Co2 P3 2.3392(6) 2_465 ?
Co2 P3 2.3392(6) . ?
P1 C4 1.815(2) . ?
P1 C10 1.824(2) . ?
P1 C2 1.828(2) . ?
P2 C22 1.822(2) . ?
P2 C16 1.837(2) . ?
P2 C3 1.851(3) . ?
P3 C31 1.829(2) . ?
P3 C37 1.832(3) . ?
P3 C29 1.863(2) . ?
P4 C49 1.812(2) . ?
P4 C43 1.823(2) . ?
P4 C30 1.828(2) . ?
F1 B1 1.378(4) . ?
F2 B1 1.361(4) . ?
F3 B1 1.371(4) . ?
F4 B1 1.375(4) . ?
N1 C1 1.154(3) . ?
N2 C28 1.152(3) . ?
N3 C55 1.144(6) . ?
C2 C3 1.529(3) . ?
C4 C9 1.389(4) . ?
C4 C5 1.394(3) . ?
C5 C6 1.385(4) . ?
C6 C7 1.368(4) . ?
C7 C8 1.383(5) . ?
C8 C9 1.391(4) . ?
C10 C15 1.394(4) . ?
C10 C11 1.397(3) . ?
C11 C12 1.383(4) . ?
C12 C13 1.384(4) . ?
C13 C14 1.388(4) . ?
C14 C15 1.384(4) . ?
C16 C17 1.390(3) . ?
C16 C21 1.397(3) . ?
C17 C18 1.390(4) . ?
C18 C19 1.382(4) . ?
C19 C20 1.386(4) . ?
C20 C21 1.377(4) . ?
C22 C27 1.395(3) . ?
C22 C23 1.398(3) . ?
C23 C24 1.387(3) . ?
C24 C25 1.383(4) . ?
C25 C26 1.384(4) . ?
C26 C27 1.393(3) . ?
C29 C30 1.527(3) . ?
C31 C32 1.395(3) . ?
C31 C36 1.405(3) . ?
C32 C33 1.386(4) . ?
C33 C34 1.389(4) . ?
C34 C35 1.379(4) . ?
C35 C36 1.383(4) . ?
C37 C38 1.391(3) . ?
C37 C42 1.403(4) . ?
C38 C39 1.386(4) . ?
C39 C40 1.380(4) . ?
C40 C41 1.379(4) . ?
C41 C42 1.380(4) . ?
C43 C48 1.395(3) . ?
C43 C44 1.395(3) . ?
C44 C45 1.383(4) . ?
C45 C46 1.383(4) . ?
C46 C47 1.384(4) . ?
C47 C48 1.389(4) . ?
C49 C54 1.387(4) . ?
C49 C50 1.399(3) . ?
C50 C51 1.378(4) . ?
C51 C52 1.385(4) . ?
C52 C53 1.382(4) . ?
C53 C54 1.393(4) . ?
C55 C56 1.454(7) . ?
