#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:06:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179313 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/10/4321075.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_4321075
loop_
_publ_author_name
'Bas de Bruin'
'Eckhard Bill'
'Eberhard Bothe'
'Thomas Weyhermüller'
'Karl Wieghardt'
_publ_section_title
;
 Molecular and Electronic Structures of Bis(pyridine-2,6-diimine)metal
 Complexes [ML2](PF6)n (n = 0, 1, 2, 3; M = Mn, Fe, Co, Ni, Cu, Zn)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2936
_journal_page_last               2947
_journal_paper_doi               10.1021/ic000113j
_journal_volume                  39
_journal_year                    2000
_chemical_formula_structural     '[C46 H46 Co N6 O4]+, (P F6)-'
_chemical_formula_sum            'C46 H46 Co F6 N6 O4 P'
_chemical_formula_weight         950.79
_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
_cell_angle_alpha                111.50(3)
_cell_angle_beta                 102.85(3)
_cell_angle_gamma                110.04(3)
_cell_formula_units_Z            2
_cell_length_a                   13.142(3)
_cell_length_b                   14.080(3)
_cell_length_c                   14.752(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2188.7(14)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       'ω, 764 frames a 1 deg. and 63 sec.'
_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  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0971
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8827
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    0.506
_exptl_absorpt_correction_type   'Not measured'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_description       'opaque block'
_exptl_crystal_F_000             984
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.362
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.053
_refine_ls_goodness_of_fit_obs   1.147
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         5990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_restrained_S_obs      1.147
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_obs          0.0650
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0817P)²+2.5934P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1873
_refine_ls_wR_factor_obs         0.1533
_reflns_number_observed          3916
_reflns_number_total             6076
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic000113j_4.cif
_cod_data_source_block           '[Co(I)L(0)2]+'
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0817P)^2^+2.5934P] 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^)+(0.0817P)^2^+2.5934P] 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        2188.7(8)
_cod_database_code               4321075
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Co1 Co 0.84396(7) 0.59862(7) -0.23106(6) 0.0302(3) Uani 1 d . .
O1 O 0.3973(3) 0.6239(3) -0.0933(3) 0.0388(10) Uani 1 d . .
O2 O 1.4228(3) 1.0483(3) 0.0976(3) 0.0387(10) Uani 1 d . .
O3 O 0.8692(4) 0.7340(4) -0.6339(3) 0.0471(12) Uani 1 d . .
O4 O 0.8269(4) 0.0871(4) -0.2985(3) 0.0531(13) Uani 1 d . .
N1 N 0.6562(4) 0.4939(4) -0.3201(4) 0.0342(12) Uani 1 d . .
N2 N 0.8251(4) 0.4705(4) -0.3612(4) 0.0309(12) Uani 1 d . .
N3 N 1.0230(4) 0.6386(4) -0.2152(3) 0.0295(11) Uani 1 d . .
N4 N 0.8631(4) 0.7447(4) -0.2528(3) 0.0304(12) Uani 1 d . .
N5 N 0.8401(4) 0.7080(4) -0.1013(3) 0.0307(12) Uani 1 d . .
N6 N 0.8279(4) 0.5138(4) -0.1373(4) 0.0319(12) Uani 1 d . .
C1 C 0.4293(5) 0.7435(5) -0.0389(5) 0.042(2) Uani 1 d . .
H1A H 0.3918(27) 0.7567(7) 0.0117(22) 0.064 Uiso 1 calc R .
H1B H 0.4028(29) 0.7674(9) -0.0904(6) 0.064 Uiso 1 calc R .
H1C H 0.5153(6) 0.7887(6) -0.0007(24) 0.064 Uiso 1 calc R .
C2 C 0.4553(5) 0.5921(5) -0.1562(4) 0.0309(14) Uani 1 d . .
C3 C 0.5184(5) 0.6625(5) -0.1909(4) 0.0351(15) Uani 1 d . .
H3 H 0.5209(5) 0.7355(5) -0.1734(4) 0.042 Uiso 1 calc R .
C4 C 0.5778(5) 0.6250(6) -0.2514(4) 0.037(2) Uani 1 d . .
H4 H 0.6200(5) 0.6724(6) -0.2762(4) 0.044 Uiso 1 calc R .
C5 C 0.5766(5) 0.5202(5) -0.2761(4) 0.0271(13) Uani 1 d . .
C6 C 0.5098(5) 0.4497(5) -0.2430(4) 0.0343(15) Uani 1 d . .
H6 H 0.5057(5) 0.3759(5) -0.2615(4) 0.041 Uiso 1 calc R .
C7 C 0.4501(5) 0.4857(5) -0.1840(4) 0.0345(15) Uani 1 d . .
H7 H 0.4048(5) 0.4365(5) -0.1622(4) 0.041 Uiso 1 calc R .
C8 C 0.6208(5) 0.3989(5) -0.4058(5) 0.0324(14) Uani 1 d . .
C9 C 0.4956(5) 0.3075(5) -0.4776(5) 0.040(2) Uani 1 d . .
H9A H 0.4804(11) 0.2386(13) -0.4693(23) 0.060 Uiso 1 calc R .
H9B H 0.4834(11) 0.2875(25) -0.5515(5) 0.060 Uiso 1 calc R .
H9C H 0.4413(5) 0.3368(13) -0.4588(21) 0.060 Uiso 1 calc R .
C10 C 0.7175(5) 0.3805(5) -0.4308(4) 0.0315(14) Uani 1 d . .
C11 C 0.7038(5) 0.2825(5) -0.5131(4) 0.038(2) Uani 1 d . .
H11 H 0.6270(5) 0.2209(5) -0.5608(4) 0.045 Uiso 1 calc R .
C12 C 0.8017(5) 0.2744(5) -0.5258(5) 0.041(2) Uani 1 d . .
H12 H 0.7936(5) 0.2070(5) -0.5811(5) 0.049 Uiso 1 calc R .
C13 C 0.9132(5) 0.3674(5) -0.4558(5) 0.040(2) Uani 1 d . .
H13 H 0.9820(5) 0.3654(5) -0.4646(5) 0.048 Uiso 1 calc R .
C14 C 0.9226(5) 0.4631(5) -0.3729(4) 0.0321(14) Uani 1 d . .
C15 C 1.0330(5) 0.5628(5) -0.2908(4) 0.0322(14) Uani 1 d . .
C16 C 1.1481(5) 0.5665(6) -0.2941(5) 0.048(2) Uani 1 d . .
H16A H 1.1591(18) 0.5787(36) -0.3532(21) 0.071 Uiso 1 calc R .
H16B H 1.1467(15) 0.4933(15) -0.3039(33) 0.071 Uiso 1 calc R .
H16C H 1.2134(6) 0.6300(23) -0.2272(14) 0.071 Uiso 1 calc R .
C17 C 1.1241(5) 0.7434(5) -0.1340(4) 0.0293(14) Uani 1 d . .
C18 C 1.1942(5) 0.8224(5) -0.1588(4) 0.0299(14) Uani 1 d . .
H18 H 1.1739(5) 0.8065(5) -0.2306(4) 0.036 Uiso 1 calc R .
C19 C 1.2919(5) 0.9224(5) -0.0801(4) 0.0321(14) Uani 1 d . .
H19 H 1.3393(5) 0.9749(5) -0.0979(4) 0.039 Uiso 1 calc R .
C20 C 1.3223(5) 0.9478(5) 0.0258(4) 0.0310(14) Uani 1 d . .
C21 C 1.2493(5) 0.8711(5) 0.0507(4) 0.0308(14) Uani 1 d . .
H21 H 1.2679(5) 0.8872(5) 0.1224(4) 0.037 Uiso 1 calc R .
C22 C 1.1504(5) 0.7722(5) -0.0294(4) 0.0302(14) Uani 1 d . .
H22 H 1.0991(5) 0.7225(5) -0.0115(4) 0.036 Uiso 1 calc R .
C23 C 1.4689(6) 1.0679(6) 0.2023(5) 0.048(2) Uani 1 d . .
H23A H 1.5471(17) 1.1357(22) 0.2418(11) 0.072 Uiso 1 calc R .
H23B H 1.4757(35) 1.0002(16) 0.2007(5) 0.072 Uiso 1 calc R .
H23C H 1.4160(20) 1.0814(37) 0.2370(12) 0.072 Uiso 1 calc R .
C31 C 0.9479(6) 0.8344(6) -0.6325(5) 0.055(2) Uani 1 d . .
H31A H 0.9283(25) 0.8228(16) -0.7051(7) 0.082 Uiso 1 calc R .
H31B H 1.0293(7) 0.8481(22) -0.6026(32) 0.082 Uiso 1 calc R .
H31C H 0.9403(28) 0.9013(10) -0.5887(29) 0.082 Uiso 1 calc R .
C32 C 0.8751(5) 0.7428(5) -0.5366(5) 0.0338(15) Uani 1 d . .
C33 C 0.7835(5) 0.6549(5) -0.5385(5) 0.0334(14) Uani 1 d . .
H33 H 0.7212(5) 0.5937(5) -0.6041(5) 0.040 Uiso 1 calc R .
C34 C 0.7838(5) 0.6572(5) -0.4439(4) 0.0320(14) Uani 1 d . .
H34 H 0.7226(5) 0.5952(5) -0.4456(4) 0.038 Uiso 1 calc R .
C35 C 0.8705(5) 0.7471(5) -0.3472(4) 0.0306(14) Uani 1 d . .
C36 C 0.9637(5) 0.8334(5) -0.3466(5) 0.0353(15) Uani 1 d . .
H36 H 1.0263(5) 0.8944(5) -0.2811(5) 0.042 Uiso 1 calc R .
C37 C 0.9656(5) 0.8306(5) -0.4409(5) 0.037(2) Uani 1 d . .
H37 H 1.0296(5) 0.8896(5) -0.4397(5) 0.045 Uiso 1 calc R .
C38 C 0.8640(5) 0.8305(5) -0.1768(4) 0.0324(14) Uani 1 d . .
C39 C 0.8653(6) 0.9369(6) -0.1798(5) 0.044(2) Uani 1 d . .
H39A H 0.9380(16) 1.0054(6) -0.1236(20) 0.066 Uiso 1 calc R .
H39B H 0.7968(19) 0.9441(18) -0.1689(30) 0.066 Uiso 1 calc R .
H39C H 0.8618(34) 0.9304(15) -0.2490(12) 0.066 Uiso 1 calc R .
C40 C 0.8485(5) 0.8102(5) -0.0898(4) 0.0328(15) Uani 1 d . .
C41 C 0.8293(5) 0.8810(6) -0.0074(5) 0.040(2) Uani 1 d . .
H41 H 0.8374(5) 0.9536(6) 0.0007(5) 0.049 Uiso 1 calc R .
C42 C 0.7985(5) 0.8448(6) 0.0620(5) 0.039(2) Uani 1 d . .
H42 H 0.7847(5) 0.8918(6) 0.1180(5) 0.047 Uiso 1 calc R .
C43 C 0.7880(5) 0.7393(6) 0.0493(4) 0.040(2) Uani 1 d . .
H43 H 0.7663(5) 0.7127(6) 0.0961(4) 0.048 Uiso 1 calc R .
C44 C 0.8095(5) 0.6725(5) -0.0324(4) 0.0312(14) Uani 1 d . .
C45 C 0.8009(5) 0.5582(5) -0.0570(4) 0.036(2) Uani 1 d . .
C46 C 0.7588(6) 0.4986(6) 0.0024(5) 0.048(2) Uani 1 d . .
H46A H 0.6730(7) 0.4677(31) -0.0212(23) 0.072 Uiso 1 calc R .
H46B H 0.7969(27) 0.5536(10) 0.0786(5) 0.072 Uiso 1 calc R .
H46C H 0.7788(32) 0.4351(23) -0.0112(26) 0.072 Uiso 1 calc R .
C47 C 0.8226(5) 0.4016(5) -0.1737(4) 0.0347(15) Uani 1 d . .
C48 C 0.9273(6) 0.3946(6) -0.1519(5) 0.043(2) Uani 1 d . .
H48 H 1.0005(6) 0.4630(6) -0.1078(5) 0.052 Uiso 1 calc R .
C49 C 0.9251(6) 0.2881(6) -0.1945(5) 0.049(2) Uani 1 d . .
H49 H 0.9967(6) 0.2833(6) -0.1789(5) 0.058 Uiso 1 calc R .
C50 C 0.8175(6) 0.1878(6) -0.2602(5) 0.043(2) Uani 1 d . .
C51 C 0.7138(6) 0.1950(6) -0.2788(5) 0.044(2) Uani 1 d . .
H51 H 0.6403(6) 0.1268(6) -0.3217(5) 0.053 Uiso 1 calc R .
C52 C 0.7168(5) 0.3010(5) -0.2351(5) 0.041(2) Uani 1 d . .
H52 H 0.6448(5) 0.3052(5) -0.2474(5) 0.050 Uiso 1 calc R .
C53 C 0.7267(7) -0.0106(6) -0.3846(5) 0.058(2) Uani 1 d . .
H53A H 0.6662(17) -0.0398(25) -0.3593(8) 0.087 Uiso 1 calc R .
H53B H 0.7484(11) -0.0707(15) -0.4177(23) 0.087 Uiso 1 calc R .
H53C H 0.6955(24) 0.0104(10) -0.4369(18) 0.087 Uiso 1 calc R .
P1 P 0.65165(15) 0.91056(15) 0.30542(13) 0.0389(4) Uani 1 d . .
F1 F 0.5965(4) 0.8329(3) 0.3548(3) 0.0602(11) Uani 1 d . .
F2 F 0.6133(3) 1.0032(3) 0.3691(3) 0.0572(11) Uani 1 d . .
F3 F 0.7051(4) 0.9899(4) 0.2566(3) 0.0701(13) Uani 1 d . .
F4 F 0.6884(4) 0.8204(4) 0.2426(3) 0.0734(13) Uani 1 d . .
F5 F 0.7733(3) 0.9791(4) 0.4057(3) 0.0640(12) Uani 1 d . .
F6 F 0.5279(4) 0.8463(4) 0.2091(3) 0.0706(13) Uani 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
N2 Co1 N5 170.7(2) . . ?
N2 Co1 N6 98.4(2) . . ?
N5 Co1 N6 75.4(2) . . ?
N2 Co1 N4 110.7(2) . . ?
N5 Co1 N4 75.4(2) . . ?
N6 Co1 N4 150.8(2) . . ?
N2 Co1 N1 74.9(2) . . ?
N5 Co1 N1 97.7(2) . . ?
N6 Co1 N1 87.3(2) . . ?
N4 Co1 N1 98.2(2) . . ?
N2 Co1 N3 76.2(2) . . ?
N5 Co1 N3 111.3(2) . . ?
N6 Co1 N3 99.2(2) . . ?
N4 Co1 N3 89.8(2) . . ?
N1 Co1 N3 151.0(2) . . ?
C2 O1 C1 117.3(4) . . ?
C20 O2 C23 117.9(5) . . ?
C32 O3 C31 116.3(5) . . ?
C50 O4 C53 116.0(6) . . ?
C8 N1 C5 122.2(5) . . ?
C8 N1 Co1 116.8(4) . . ?
C5 N1 Co1 120.1(4) . . ?
C10 N2 C14 118.4(5) . . ?
C10 N2 Co1 121.2(3) . . ?
C14 N2 Co1 119.5(4) . . ?
C15 N3 C17 120.9(4) . . ?
C15 N3 Co1 114.9(4) . . ?
C17 N3 Co1 124.0(3) . . ?
C38 N4 C35 121.6(5) . . ?
C38 N4 Co1 116.6(4) . . ?
C35 N4 Co1 121.8(4) . . ?
C40 N5 C44 118.9(5) . . ?
C40 N5 Co1 120.2(4) . . ?
C44 N5 Co1 120.0(4) . . ?
C45 N6 C47 121.7(5) . . ?
C45 N6 Co1 116.2(4) . . ?
C47 N6 Co1 120.9(3) . . ?
C7 C2 O1 117.1(5) . . ?
C7 C2 C3 119.8(5) . . ?
O1 C2 C3 123.1(6) . . ?
C2 C3 C4 119.3(6) . . ?
C5 C4 C3 121.1(6) . . ?
C4 C5 C6 118.5(5) . . ?
C4 C5 N1 119.6(5) . . ?
C6 C5 N1 121.2(5) . . ?
C7 C6 C5 120.7(6) . . ?
C6 C7 C2 120.5(5) . . ?
N1 C8 C10 114.1(5) . . ?
N1 C8 C9 127.3(5) . . ?
C10 C8 C9 118.6(5) . . ?
N2 C10 C11 122.1(5) . . ?
N2 C10 C8 112.3(5) . . ?
C11 C10 C8 125.5(5) . . ?
C12 C11 C10 119.9(6) . . ?
C11 C12 C13 118.6(5) . . ?
C14 C13 C12 119.4(5) . . ?
N2 C14 C13 121.5(5) . . ?
N2 C14 C15 113.3(5) . . ?
C13 C14 C15 125.2(5) . . ?
N3 C15 C14 115.6(5) . . ?
N3 C15 C16 125.1(5) . . ?
C14 C15 C16 119.1(5) . . ?
C22 C17 C18 118.6(5) . . ?
C22 C17 N3 120.4(5) . . ?
C18 C17 N3 120.9(5) . . ?
C19 C18 C17 120.4(5) . . ?
C18 C19 C20 120.6(5) . . ?
O2 C20 C19 115.8(5) . . ?
O2 C20 C21 125.4(5) . . ?
C19 C20 C21 118.8(5) . . ?
C22 C21 C20 119.7(5) . . ?
C17 C22 C21 121.7(5) . . ?
O3 C32 C37 124.3(5) . . ?
O3 C32 C33 116.0(5) . . ?
C37 C32 C33 119.7(5) . . ?
C34 C33 C32 119.4(5) . . ?
C35 C34 C33 121.7(5) . . ?
C34 C35 C36 118.3(5) . . ?
C34 C35 N4 118.5(5) . . ?
C36 C35 N4 123.2(5) . . ?
C37 C36 C35 120.4(6) . . ?
C32 C37 C36 120.5(5) . . ?
N4 C38 C40 114.0(5) . . ?
N4 C38 C39 125.6(5) . . ?
C40 C38 C39 120.1(5) . . ?
N5 C40 C41 121.2(5) . . ?
N5 C40 C38 113.7(5) . . ?
C41 C40 C38 124.7(6) . . ?
C42 C41 C40 119.7(6) . . ?
C41 C42 C43 119.2(5) . . ?
C42 C43 C44 119.4(6) . . ?
N5 C44 C43 121.6(6) . . ?
N5 C44 C45 112.4(5) . . ?
C43 C44 C45 125.9(6) . . ?
N6 C45 C44 114.0(5) . . ?
N6 C45 C46 124.4(6) . . ?
C44 C45 C46 121.4(5) . . ?
C52 C47 C48 119.1(6) . . ?
C52 C47 N6 121.9(5) . . ?
C48 C47 N6 118.9(5) . . ?
C49 C48 C47 120.0(6) . . ?
C48 C49 C50 120.0(6) . . ?
C51 C50 O4 125.7(6) . . ?
C51 C50 C49 119.7(6) . . ?
O4 C50 C49 114.6(6) . . ?
C52 C51 C50 119.8(6) . . ?
C51 C52 C47 121.3(6) . . ?
F4 P1 F6 90.7(2) . . ?
F4 P1 F5 92.4(3) . . ?
F6 P1 F5 176.9(2) . . ?
F4 P1 F1 90.7(2) . . ?
F6 P1 F1 89.8(2) . . ?
F5 P1 F1 89.6(2) . . ?
F4 P1 F3 90.5(2) . . ?
F6 P1 F3 89.7(2) . . ?
F5 P1 F3 90.8(2) . . ?
F1 P1 F3 178.7(3) . . ?
F4 P1 F2 179.5(2) . . ?
F6 P1 F2 88.9(2) . . ?
F5 P1 F2 88.0(2) . . ?
F1 P1 F2 89.6(2) . . ?
F3 P1 F2 89.2(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 N2 1.986(5) . ?
Co1 N5 1.993(5) . ?
Co1 N6 2.134(5) . ?
Co1 N4 2.136(5) . ?
Co1 N1 2.153(5) . ?
Co1 N3 2.158(4) . ?
O1 C2 1.373(6) . ?
O1 C1 1.426(7) . ?
O2 C20 1.366(7) . ?
O2 C23 1.409(7) . ?
O3 C32 1.377(7) . ?
O3 C31 1.426(7) . ?
O4 C50 1.381(8) . ?
O4 C53 1.405(8) . ?
N1 C8 1.294(7) . ?
N1 C5 1.431(7) . ?
N2 C10 1.353(7) . ?
N2 C14 1.363(7) . ?
N3 C15 1.300(7) . ?
N3 C17 1.425(7) . ?
N4 C38 1.307(7) . ?
N4 C35 1.428(7) . ?
N5 C40 1.348(8) . ?
N5 C44 1.364(7) . ?
N6 C45 1.310(7) . ?
N6 C47 1.440(8) . ?
C2 C7 1.373(8) . ?
C2 C3 1.388(8) . ?
C3 C4 1.391(8) . ?
C4 C5 1.377(8) . ?
C5 C6 1.393(8) . ?
C6 C7 1.372(8) . ?
C8 C10 1.477(7) . ?
C8 C9 1.504(8) . ?
C10 C11 1.384(8) . ?
C11 C12 1.377(8) . ?
C12 C13 1.396(8) . ?
C13 C14 1.391(8) . ?
C14 C15 1.456(8) . ?
C15 C16 1.508(8) . ?
C17 C22 1.369(7) . ?
C17 C18 1.402(8) . ?
C18 C19 1.371(8) . ?
C19 C20 1.394(7) . ?
C20 C21 1.399(8) . ?
C21 C22 1.376(8) . ?
C32 C37 1.379(8) . ?
C32 C33 1.386(8) . ?
C33 C34 1.383(7) . ?
C34 C35 1.379(8) . ?
C35 C36 1.394(8) . ?
C36 C37 1.383(8) . ?
C38 C40 1.455(8) . ?
C38 C39 1.509(9) . ?
C40 C41 1.399(8) . ?
C41 C42 1.377(8) . ?
C42 C43 1.379(9) . ?
C43 C44 1.385(8) . ?
C44 C45 1.470(9) . ?
C45 C46 1.489(8) . ?
C47 C52 1.382(8) . ?
C47 C48 1.388(8) . ?
C48 C49 1.384(9) . ?
C49 C50 1.397(9) . ?
C50 C51 1.376(9) . ?
C51 C52 1.374(9) . ?
P1 F4 1.569(4) . ?
P1 F6 1.582(4) . ?
P1 F5 1.587(4) . ?
P1 F1 1.590(4) . ?
P1 F3 1.593(4) . ?
P1 F2 1.613(4) . ?
