#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:55:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179312 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/09/4320958.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_4320958
loop_
_publ_author_name
'Massimo Di Vaira'
'Markus P. Ehses'
'Piero Stoppioni'
'Maurizio Peruzzini'
_publ_contact_author
;
  Prof. P. Stoppioni
  Dipartimento di Chimica
  via Maragliano 77
  50144 Firenze
  Italy
;
_publ_contact_author_email       stopmora@chim1.unifi.it
_publ_contact_author_fax         '++39 055 354845'
_publ_contact_author_phone       '++39 055 3216328'
_publ_section_title
;
 Cyclotriphosphorus Complexes: Solid-State Structures and Dynamic Behavior
 of Monoadducts with Carbonyl Fragments
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2199
_journal_page_last               2205
_journal_paper_doi               10.1021/ic991380w
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C53 H47 B Co F4 O5 P6 Re'
_chemical_formula_weight         1281.66
_chemical_name_systematic
;
[{1,1,1-tris(diphenylphosphinomethyl)ethane
cobalt}(=B5,h3:1-cyclotriphosphorus)
(rhenium pentacarbonyl)]tetrafluoroborate
;
_space_group_IT_number           14
_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_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 103.380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.754(2)
_cell_length_b                   24.886(4)
_cell_length_c                   15.182(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      57.5
_cell_measurement_theta_min      3.5
_cell_volume                     5423.0(14)
_computing_cell_refinement       'SAINT (Bruker-AXS software'
_computing_data_collection       'SMART (Bruker-AXS software'
_computing_data_reduction        'SAINT (Bruker-AXS software'
_computing_molecular_graphics    'ORTEP (C.K. Johnson)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR92/SIR97 (Giacovazzo et al.)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'CCD Bruker-AXS platform'
_diffrn_radiation_monochromator  'Goebel mirrors'
_diffrn_radiation_source         'rotating anode generator'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0922
_diffrn_reflns_av_sigmaI/netI    0.1015
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19188
_diffrn_reflns_theta_max         57.46
_diffrn_reflns_theta_min         3.48
_exptl_absorpt_coefficient_mu    8.87
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.409
_exptl_absorpt_correction_type   'empirical, SADABS'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_description       'flat needle'
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.649
_refine_diff_density_min         -1.930
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.900
_refine_ls_goodness_of_fit_obs   1.084
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         7089
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      0.900
_refine_ls_restrained_S_obs      1.082
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_obs          0.0529
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0704P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1284
_refine_ls_wR_factor_obs         0.1228
_reflns_number_observed          4688
_reflns_number_total             7089
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic991380w_1.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0704P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0704P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5423.0(13)
_cod_database_code               4320958
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Re Re 0.76061(2) 0.04617(2) 0.92284(3) 0.0611(2) Uani 1 d . .
Co Co 0.61850(7) 0.21623(4) 0.84683(8) 0.0391(3) Uani 1 d . .
P1 P 0.53178(11) 0.20919(7) 0.70776(13) 0.0399(5) Uani 1 d . .
P2 P 0.49467(12) 0.21398(8) 0.90460(14) 0.0443(5) Uani 1 d . .
P3 P 0.61901(12) 0.30444(8) 0.84659(15) 0.0512(5) Uani 1 d . .
P4 P 0.69802(12) 0.13899(8) 0.88134(15) 0.0513(5) Uani 1 d . .
P5 P 0.76829(13) 0.20066(9) 0.8266(2) 0.0572(6) Uani 1 d . .
P6 P 0.75059(13) 0.20697(9) 0.9623(2) 0.0577(6) Uani 1 d . .
C71 C 0.8211(6) -0.0227(5) 0.9604(7) 0.080(3) Uani 1 d . .
O1 O 0.8553(5) -0.0628(3) 0.9809(5) 0.091(2) Uani 1 d . .
C72 C 0.7279(6) 0.0567(3) 1.0389(8) 0.064(2) Uani 1 d . .
O2 O 0.7092(6) 0.0665(3) 1.1075(6) 0.100(2) Uani 1 d . .
C73 C 0.6403(7) 0.0094(4) 0.8829(9) 0.090(4) Uani 1 d . .
O3 O 0.5714(6) -0.0129(3) 0.8608(7) 0.136(4) Uani 1 d . .
C74 C 0.8842(7) 0.0845(4) 0.9657(9) 0.097(4) Uani 1 d . .
O4 O 0.9512(5) 0.1067(3) 0.9885(8) 0.143(4) Uani 1 d . .
C75 C 0.7851(8) 0.0382(5) 0.8027(10) 0.107(4) Uani 1 d . .
O5 O 0.7861(7) 0.0330(5) 0.7259(7) 0.164(5) Uani 1 d . .
C1 C 0.4202(4) 0.2445(3) 0.7038(5) 0.045(2) Uani 1 d . .
H1A H 0.3958(4) 0.2571(3) 0.6425(5) 0.054 Uiso 1 calc R .
H1B H 0.3760(4) 0.2187(3) 0.7174(5) 0.054 Uiso 1 calc R .
C2 C 0.4222(5) 0.2730(3) 0.8627(5) 0.048(2) Uani 1 d . .
H2A H 0.3581(5) 0.2647(3) 0.8633(5) 0.058 Uiso 1 calc R .
H2B H 0.4418(5) 0.3025(3) 0.9044(5) 0.058 Uiso 1 calc R .
C3 C 0.5119(5) 0.3283(3) 0.7690(6) 0.054(2) Uani 1 d . .
H3A H 0.4984(5) 0.3643(3) 0.7866(6) 0.065 Uiso 1 calc R .
H3B H 0.5223(5) 0.3302(3) 0.7083(6) 0.065 Uiso 1 calc R .
C4 C 0.4253(4) 0.2917(3) 0.7675(5) 0.045(2) Uani 1 d . .
C5 C 0.3381(5) 0.3271(4) 0.7310(6) 0.071(3) Uani 1 d . .
H5A H 0.3428(20) 0.3435(19) 0.6750(21) 0.106 Uiso 1 calc R .
H5B H 0.3342(23) 0.3545(15) 0.7745(18) 0.106 Uiso 1 calc R .
H5C H 0.2832(6) 0.3051(6) 0.7209(38) 0.106 Uiso 1 calc R .
C11 C 0.5688(4) 0.2370(3) 0.6099(5) 0.046(2) Uani 1 d D .
C12 C 0.5064(5) 0.2443(4) 0.5296(5) 0.079(3) Uani 1 d D .
H12 H 0.4444(5) 0.2353(4) 0.5256(5) 0.095 Uiso 1 calc R .
C13 C 0.5307(6) 0.2643(4) 0.4542(6) 0.087(3) Uani 1 d D .
H13 H 0.4859(6) 0.2677(4) 0.4003(6) 0.105 Uiso 1 calc R .
C14 C 0.6188(6) 0.2789(5) 0.4580(7) 0.106(4) Uani 1 d D .
H14 H 0.6373(6) 0.2899(5) 0.4062(7) 0.128 Uiso 1 calc R .
C15 C 0.6805(7) 0.2774(7) 0.5397(7) 0.155(7) Uani 1 d D .
H15 H 0.7403(7) 0.2908(7) 0.5447(7) 0.186 Uiso 1 calc R .
C16 C 0.6571(6) 0.2565(5) 0.6153(7) 0.114(4) Uani 1 d D .
H16 H 0.7010(6) 0.2556(5) 0.6702(7) 0.137 Uiso 1 calc R .
C21 C 0.4976(4) 0.1426(3) 0.6611(5) 0.048(2) Uani 1 d D .
C22 C 0.4076(6) 0.1261(3) 0.6266(6) 0.069(3) Uani 1 d D .
H22 H 0.3586(6) 0.1497(3) 0.6260(6) 0.083 Uiso 1 calc R .
C23 C 0.3889(7) 0.0741(4) 0.5925(7) 0.091(3) Uani 1 d D .
H23 H 0.3275(7) 0.0632(4) 0.5707(7) 0.110 Uiso 1 calc R .
C24 C 0.4591(8) 0.0393(4) 0.5906(8) 0.095(3) Uani 1 d D .
H24 H 0.4461(8) 0.0049(4) 0.5673(8) 0.114 Uiso 1 calc R .
C25 C 0.5484(8) 0.0553(4) 0.6231(7) 0.090(3) Uani 1 d D .
H25 H 0.5968(8) 0.0316(4) 0.6212(7) 0.108 Uiso 1 calc R .
C26 C 0.5688(6) 0.1058(4) 0.6589(6) 0.073(3) Uani 1 d D .
H26 H 0.6306(6) 0.1156(4) 0.6819(6) 0.087 Uiso 1 calc R .
C31 C 0.4138(4) 0.1572(3) 0.8758(5) 0.047(2) Uani 1 d D .
C32 C 0.3212(5) 0.1611(4) 0.8792(7) 0.080(3) Uani 1 d D .
H32 H 0.2982(5) 0.1938(4) 0.8944(7) 0.095 Uiso 1 calc R .
C33 C 0.2620(6) 0.1172(4) 0.8603(8) 0.085(3) Uani 1 d D .
H33 H 0.1993(6) 0.1214(4) 0.8599(8) 0.102 Uiso 1 calc R .
C34 C 0.2934(6) 0.0686(4) 0.8427(7) 0.075(3) Uani 1 d D .
H34 H 0.2542(6) 0.0388(4) 0.8342(7) 0.090 Uiso 1 calc R .
C35 C 0.3847(6) 0.0639(4) 0.8377(8) 0.085(3) Uani 1 d D .
H35 H 0.4067(6) 0.0312(4) 0.8216(8) 0.102 Uiso 1 calc R .
C36 C 0.4447(5) 0.1078(3) 0.8564(6) 0.061(2) Uani 1 d D .
H36 H 0.5071(5) 0.1035(3) 0.8557(6) 0.074 Uiso 1 calc R .
C41 C 0.5054(5) 0.2137(3) 1.0267(5) 0.054(2) Uani 1 d D .
C42 C 0.4548(7) 0.2467(4) 1.0706(6) 0.088(3) Uani 1 d D .
H42 H 0.4133(7) 0.2716(4) 1.0380(6) 0.105 Uiso 1 calc R .
C43 C 0.4664(10) 0.2426(6) 1.1633(8) 0.124(5) Uani 1 d D .
H43 H 0.4324(10) 0.2651(6) 1.1924(8) 0.149 Uiso 1 calc R .
C44 C 0.5268(9) 0.2061(6) 1.2134(8) 0.115(4) Uani 1 d D .
H44 H 0.5327(9) 0.2030(6) 1.2755(8) 0.138 Uiso 1 calc R .
C45 C 0.5776(7) 0.1746(5) 1.1697(7) 0.088(3) Uani 1 d D .
H45 H 0.6207(7) 0.1506(5) 1.2028(7) 0.106 Uiso 1 calc R .
C46 C 0.5663(6) 0.1777(4) 1.0775(6) 0.069(3) Uani 1 d D .
H46 H 0.6004(6) 0.1549(4) 1.0490(6) 0.083 Uiso 1 calc R .
C51 C 0.6210(5) 0.3418(3) 0.9516(7) 0.064(3) Uani 1 d D .
C52 C 0.6039(7) 0.3966(4) 0.9461(9) 0.101(4) Uani 1 d D .
H52 H 0.5901(7) 0.4135(4) 0.8898(9) 0.121 Uiso 1 calc R .
C53 C 0.6072(10) 0.4264(6) 1.0236(12) 0.142(7) Uani 1 d D .
H53 H 0.5944(10) 0.4630(6) 1.0189(12) 0.171 Uiso 1 calc R .
C54 C 0.6288(9) 0.4032(6) 1.1058(12) 0.137(6) Uani 1 d D .
H54 H 0.6307(9) 0.4234(6) 1.1576(12) 0.164 Uiso 1 calc R .
C55 C 0.6479(7) 0.3492(5) 1.1122(8) 0.103(4) Uani 1 d D .
H55 H 0.6646(7) 0.3332(5) 1.1690(8) 0.124 Uiso 1 calc R .
C56 C 0.6427(6) 0.3183(4) 1.0359(7) 0.070(3) Uani 1 d D .
H56 H 0.6539(6) 0.2815(4) 1.0414(7) 0.084 Uiso 1 calc R .
C61 C 0.7159(5) 0.3387(3) 0.8146(6) 0.064(2) Uani 1 d D .
C62 C 0.7124(7) 0.3621(5) 0.7335(9) 0.122(5) Uani 1 d D .
H62 H 0.6565(7) 0.3620(5) 0.6900(9) 0.147 Uiso 1 calc R .
C63 C 0.7908(8) 0.3864(7) 0.7131(11) 0.173(8) Uani 1 d D .
H63 H 0.7870(8) 0.4021(7) 0.6568(11) 0.207 Uiso 1 calc R .
C64 C 0.8726(7) 0.3869(6) 0.7771(11) 0.149(7) Uani 1 d D .
H64 H 0.9248(7) 0.4033(6) 0.7647(11) 0.178 Uiso 1 calc R .
C65 C 0.8780(6) 0.3637(5) 0.8580(9) 0.110(4) Uani 1 d D .
H65 H 0.9341(6) 0.3639(5) 0.9013(9) 0.132 Uiso 1 calc R .
C66 C 0.8004(5) 0.3396(4) 0.8768(8) 0.094(3) Uani 1 d D .
H66 H 0.8052(5) 0.3234(4) 0.9330(8) 0.113 Uiso 1 calc R .
B B 1.0264(5) -0.0080(3) 0.8005(6) 0.090(4) Uani 1 d D .
F1A F 1.0288(18) -0.0120(12) 0.7166(9) 0.173(15) Uani 0.40(3) d PD 1
F2A F 1.1087(10) -0.0162(12) 0.8492(15) 0.211(22) Uani 0.40(3) d PD 1
F3A F 0.9683(17) -0.0421(12) 0.8183(20) 0.197(18) Uani 0.40(3) d PD 1
F4A F 1.0007(23) 0.0400(7) 0.8153(18) 0.178(17) Uani 0.40(3) d PD 1
F1B F 0.9770(15) -0.0243(7) 0.7239(12) 0.246(18) Uani 0.60(3) d PD 2
F2B F 1.0868(15) -0.0444(10) 0.8344(12) 0.295(19) Uani 0.60(3) d PD 2
F3B F 0.9727(12) -0.0007(11) 0.8559(12) 0.180(11) Uani 0.60(3) d PD 2
F4B F 1.0680(19) 0.0363(8) 0.7914(16) 0.244(16) Uani 0.60(3) d PD 2
C81 C 0.6727(11) 0.1155(9) 0.4409(19) 0.428(44) Uani 1 d G .
H81 H 0.6137(11) 0.1301(9) 0.4355(19) 0.514 Uiso 1 calc R .
C82 C 0.7427(21) 0.1260(8) 0.5175(14) 0.387(31) Uani 1 d G .
H82 H 0.7305(33) 0.1476(10) 0.5634(19) 0.464 Uiso 1 calc R .
C83 C 0.8310(16) 0.1042(9) 0.5256(14) 0.369(30) Uani 1 d G .
H83 H 0.8779(23) 0.1112(13) 0.5768(18) 0.443 Uiso 1 calc R .
C84 C 0.8493(11) 0.0719(8) 0.4570(21) 0.360(31) Uani 1 d G .
H84 H 0.9084(15) 0.0573(12) 0.4624(31) 0.431 Uiso 1 calc R .
C85 C 0.7793(21) 0.0614(5) 0.3804(16) 0.357(32) Uani 1 d G .
H85 H 0.7915(33) 0.0398(7) 0.3346(21) 0.428 Uiso 1 calc R .
C86 C 0.6910(16) 0.0832(8) 0.3723(13) 0.278(19) Uani 1 d G .
H86 H 0.6442(23) 0.0762(12) 0.3211(17) 0.334 Uiso 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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -5.2083 5.8923 '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
C72 Re C75 175.9(4) . . ?
C72 Re C71 92.6(4) . . ?
C75 Re C71 90.7(4) . . ?
C72 Re C73 86.9(4) . . ?
C75 Re C73 90.7(5) . . ?
C71 Re C73 90.0(4) . . ?
C72 Re C74 92.3(5) . . ?
C75 Re C74 90.0(5) . . ?
C71 Re C74 90.2(4) . . ?
C73 Re C74 179.2(5) . . ?
C72 Re P4 87.1(2) . . ?
C75 Re P4 89.8(3) . . ?
C71 Re P4 174.4(3) . . ?
C73 Re P4 95.6(3) . . ?
C74 Re P4 84.2(2) . . ?
P3 Co P2 91.69(8) . . ?
P3 Co P1 94.55(8) . . ?
P2 Co P1 91.62(8) . . ?
P3 Co P4 148.54(9) . . ?
P2 Co P4 108.75(8) . . ?
P1 Co P4 108.08(9) . . ?
P3 Co P6 95.65(9) . . ?
P2 Co P6 109.07(9) . . ?
P1 Co P6 156.58(9) . . ?
P4 Co P6 55.63(8) . . ?
P3 Co P5 99.33(8) . . ?
P2 Co P5 161.18(9) . . ?
P1 Co P5 102.57(8) . . ?
P4 Co P5 55.25(8) . . ?
P6 Co P5 54.94(8) . . ?
C21 P1 C11 97.8(3) . . ?
C21 P1 C1 104.7(3) . . ?
C11 P1 C1 102.9(3) . . ?
C21 P1 Co 119.3(2) . . ?
C11 P1 Co 122.0(2) . . ?
C1 P1 Co 107.9(2) . . ?
C41 P2 C31 97.9(3) . . ?
C41 P2 C2 105.1(4) . . ?
C31 P2 C2 103.8(3) . . ?
C41 P2 Co 121.3(2) . . ?
C31 P2 Co 118.6(2) . . ?
C2 P2 Co 108.1(2) . . ?
C61 P3 C3 106.8(4) . . ?
C61 P3 C51 97.9(4) . . ?
C3 P3 C51 103.4(4) . . ?
C61 P3 Co 118.1(3) . . ?
C3 P3 Co 108.7(3) . . ?
C51 P3 Co 120.2(3) . . ?
P5 P4 P6 60.46(11) . . ?
P5 P4 Co 64.37(8) . . ?
P6 P4 Co 63.66(8) . . ?
P5 P4 Re 125.26(9) . . ?
P6 P4 Re 121.46(10) . . ?
Co P4 Re 170.15(9) . . ?
P4 P5 P6 59.84(10) . . ?
P4 P5 Co 60.39(7) . . ?
P6 P5 Co 62.02(8) . . ?
P4 P6 P5 59.70(10) . . ?
P4 P6 Co 60.71(8) . . ?
P5 P6 Co 63.04(8) . . ?
O1 C71 Re 179.0(10) . . ?
O2 C72 Re 175.6(8) . . ?
O3 C73 Re 178.5(10) . . ?
O4 C74 Re 178.4(9) . . ?
O5 C75 Re 170.3(11) . . ?
C4 C1 P1 115.8(5) . . ?
C4 C2 P2 115.3(5) . . ?
C4 C3 P3 113.6(5) . . ?
C1 C4 C2 111.1(6) . . ?
C1 C4 C5 107.3(6) . . ?
C2 C4 C5 107.8(6) . . ?
C1 C4 C3 112.4(6) . . ?
C2 C4 C3 111.5(6) . . ?
C5 C4 C3 106.4(6) . . ?
C12 C11 C16 116.3(7) . . ?
C12 C11 P1 120.7(5) . . ?
C16 C11 P1 122.7(6) . . ?
C11 C12 C13 122.9(8) . . ?
C14 C13 C12 120.2(9) . . ?
C13 C14 C15 118.0(9) . . ?
C14 C15 C16 121.9(9) . . ?
C11 C16 C15 120.1(9) . . ?
C22 C21 C26 117.3(8) . . ?
C22 C21 P1 125.2(6) . . ?
C26 C21 P1 117.5(6) . . ?
C21 C22 C23 120.7(8) . . ?
C24 C23 C22 120.8(9) . . ?
C23 C24 C25 119.3(9) . . ?
C24 C25 C26 121.1(9) . . ?
C25 C26 C21 120.8(8) . . ?
C36 C31 C32 117.0(7) . . ?
C36 C31 P2 120.8(5) . . ?
C32 C31 P2 122.0(6) . . ?
C31 C32 C33 121.1(8) . . ?
C34 C33 C32 121.4(8) . . ?
C33 C34 C35 118.4(8) . . ?
C34 C35 C36 120.5(8) . . ?
C31 C36 C35 121.4(7) . . ?
C46 C41 C42 118.3(8) . . ?
C46 C41 P2 117.7(6) . . ?
C42 C41 P2 124.0(7) . . ?
C43 C42 C41 119.6(9) . . ?
C44 C43 C42 121.8(10) . . ?
C45 C44 C43 118.1(10) . . ?
C44 C45 C46 121.0(10) . . ?
C45 C46 C41 121.2(9) . . ?
C56 C51 C52 118.3(9) . . ?
C56 C51 P3 123.1(6) . . ?
C52 C51 P3 118.6(9) . . ?
C53 C52 C51 120.4(12) . . ?
C54 C53 C52 120.9(13) . . ?
C53 C54 C55 119.2(13) . . ?
C54 C55 C56 121.1(12) . . ?
C51 C56 C55 120.0(10) . . ?
C62 C61 C66 117.1(8) . . ?
C62 C61 P3 125.2(7) . . ?
C66 C61 P3 117.7(7) . . ?
C61 C62 C63 121.8(11) . . ?
C64 C63 C62 119.1(12) . . ?
C65 C64 C63 120.3(10) . . ?
C64 C65 C66 120.0(10) . . ?
C61 C66 C65 121.8(10) . . ?
F3A B F2A 111.3(8) . . ?
F3A B F1A 109.3(8) . . ?
F2A B F1A 108.6(7) . . ?
F3A B F4A 109.9(8) . . ?
F2A B F4A 109.0(8) . . ?
F1A B F4A 108.8(8) . . ?
F4B B F1B 111.0(8) . . ?
F4B B F2B 110.0(8) . . ?
F1B B F2B 109.4(7) . . ?
F4B B F3B 109.2(7) . . ?
F1B B F3B 109.1(7) . . ?
F2B B F3B 108.1(7) . . ?
C82 C81 C86 120.0 . . ?
C81 C82 C83 120.0 . . ?
C84 C83 C82 120.0 . . ?
C83 C84 C85 120.0 . . ?
C86 C85 C84 120.0 . . ?
C85 C86 C81 120.0 . . ?
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
Re C72 1.948(11) . ?
Re C75 1.950(14) . ?
Re C71 1.955(11) . ?
Re C73 1.965(11) . ?
Re C74 2.028(12) . ?
Re P4 2.513(2) . ?
Co P3 2.195(2) . ?
Co P2 2.203(2) . ?
Co P1 2.208(2) . ?
Co P4 2.250(2) . ?
Co P6 2.312(2) . ?
Co P5 2.333(2) . ?
P1 C21 1.826(8) . ?
P1 C11 1.833(7) . ?
P1 C1 1.855(6) . ?
P2 C41 1.824(8) . ?
P2 C31 1.836(7) . ?
P2 C2 1.841(7) . ?
P3 C61 1.825(8) . ?
P3 C3 1.838(7) . ?
P3 C51 1.839(10) . ?
P4 P5 2.126(3) . ?
P4 P6 2.129(3) . ?
P5 P6 2.143(3) . ?
C71 O1 1.128(10) . ?
C72 O2 1.164(11) . ?
C73 O3 1.138(11) . ?
C74 O4 1.115(11) . ?
C75 O5 1.177(14) . ?
C1 C4 1.512(10) . ?
C2 C4 1.530(10) . ?
C3 C4 1.564(10) . ?
C4 C5 1.551(9) . ?
C11 C12 1.360(8) . ?
C11 C16 1.374(8) . ?
C12 C13 1.369(8) . ?
C13 C14 1.339(8) . ?
C14 C15 1.359(9) . ?
C15 C16 1.375(8) . ?
C21 C22 1.374(9) . ?
C21 C26 1.400(9) . ?
C22 C23 1.398(11) . ?
C23 C24 1.354(12) . ?
C24 C25 1.356(12) . ?
C25 C26 1.375(11) . ?
C31 C36 1.365(9) . ?
C31 C32 1.383(9) . ?
C32 C33 1.388(11) . ?
C33 C34 1.343(10) . ?
C34 C35 1.372(10) . ?
C35 C36 1.394(10) . ?
C41 C46 1.373(10) . ?
C41 C42 1.381(10) . ?
C42 C43 1.381(12) . ?
C43 C44 1.372(13) . ?
C44 C45 1.358(12) . ?
C45 C46 1.373(11) . ?
C51 C56 1.376(11) . ?
C51 C52 1.388(11) . ?
C52 C53 1.382(13) . ?
C53 C54 1.345(14) . ?
C54 C55 1.371(13) . ?
C55 C56 1.378(11) . ?
C61 C62 1.352(11) . ?
C61 C66 1.379(11) . ?
C62 C63 1.402(12) . ?
C63 C64 1.363(14) . ?
C64 C65 1.342(13) . ?
C65 C66 1.381(11) . ?
B F3A 1.279(13) . ?
B F2A 1.283(13) . ?
B F4B 1.284(9) . ?
B F1A 1.286(13) . ?
B F4A 1.287(13) . ?
B F1B 1.287(9) . ?
B F2B 1.292(9) . ?
B F3B 1.294(9) . ?
C81 C82 1.39 . ?
C81 C86 1.39 . ?
C82 C83 1.39 . ?
C83 C84 1.39 . ?
C84 C85 1.39 . ?
C85 C86 1.39 . ?
