#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:38:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180089 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/35/7053568.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_7053568
loop_
_publ_author_name
'Maxim, Catalin'
'Matni, Adil'
'Geoffroy, Michel'
'Andruh, Marius'
'Hearns, Nigel G. R.'
'Clérac, Rodolphe'
'Avarvari, Narcis'
_publ_section_title
;
 C3 symmetric tris(phosphonate)-1,3,5-triazine ligand: homopolymetallic
 complexes and its radical anion
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2319
_journal_paper_doi               10.1039/c0nj00204f
_journal_volume                  34
_journal_year                    2010
_chemical_formula_sum            'C48 H42 Co3 F36 N6 O30 P6'
_chemical_formula_weight         2229.49
_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                112.260(13)
_cell_angle_beta                 98.811(13)
_cell_angle_gamma                106.294(13)
_cell_formula_units_Z            1
_cell_length_a                   10.7033(11)
_cell_length_b                   14.7008(17)
_cell_length_c                   15.6481(17)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      1.65
_cell_volume                     2091.8(5)
_computing_cell_refinement       'SELECT, CELL [STOE-IPDS]'
_computing_data_collection       'EXPOSE [STOE-IPDS]'
_computing_data_reduction        'INTEGRATE [STOE-IPDS]'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  STOE-IPDS
_diffrn_measurement_method       'Rotation, Phi. incr. = 1.5'
_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  0.0603
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20330
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.7582
_exptl_absorpt_correction_T_min  0.6744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   wingx
_exptl_crystal_colour            red-pink
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1107
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.839
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         7550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.839
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0740P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1176
_reflns_number_gt                4532
_reflns_number_total             7550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0nj00204f.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2091.8(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7053568
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
C1 C 0.7340(4) 0.9948(3) 0.6613(2) 0.0448(8) Uani 1 1 d .
C1A C 0.6884(5) 0.5905(3) 0.2724(3) 0.0601(10) Uani 1 1 d .
C1B C 0.8857(4) 1.1592(3) 1.0992(3) 0.0543(9) Uani 1 1 d .
C2 C 0.6693(4) 0.9643(3) 0.7816(2) 0.0454(8) Uani 1 1 d .
C2A C 0.7115(5) 0.5462(3) 0.3335(3) 0.0733(13) Uani 1 1 d .
H2A H 0.7354 0.4870 0.3110 0.088 Uiso 1 1 calc R
C2B C 0.8200(5) 1.2013(4) 1.1772(3) 0.0698(11) Uani 1 1 d .
C3 C 0.9707(5) 1.1670(3) 0.6184(3) 0.0798(13) Uani 1 1 d .
H3A H 0.9782 1.2141 0.5890 0.120 Uiso 1 1 calc R
H3B H 1.0574 1.1615 0.6357 0.120 Uiso 1 1 calc R
H3C H 0.9426 1.1939 0.6753 0.120 Uiso 1 1 calc R
C3A C 0.7013(5) 0.5849(3) 0.4267(3) 0.0638(11) Uani 1 1 d .
C3B C 0.9888(4) 1.1882(3) 0.9789(3) 0.0565(9) Uani 1 1 d .
C4 C 0.5728(5) 0.8855(4) 0.9914(3) 0.0794(13) Uani 1 1 d .
H4A H 0.5229 0.9187 1.0306 0.119 Uiso 1 1 calc R
H4B H 0.6598 0.8994 1.0318 0.119 Uiso 1 1 calc R
H4C H 0.5228 0.8105 0.9577 0.119 Uiso 1 1 calc R
C4A C 0.7446(9) 0.5355(6) 0.4900(4) 0.0969(19) Uani 1 1 d .
C4B C 1.0282(7) 1.2597(4) 0.9302(4) 0.0801(14) Uani 1 1 d .
C5A C 0.6976(9) 0.5369(5) 0.1709(4) 0.0966(19) Uani 1 1 d .
C5B C 0.9217(4) 1.2151(3) 1.0474(3) 0.0634(11) Uani 1 1 d .
H5B H 0.8992 1.2746 1.0595 0.076 Uiso 1 1 calc R
C6 C 0.3843(4) 0.9172(3) 0.2586(2) 0.0450(8) Uani 1 1 d .
C6A C 0.2881(5) 0.5987(3) 0.3284(3) 0.0609(11) Uani 1 1 d .
C7 C 0.3555(8) 0.6288(4) 0.0936(4) 0.131(2) Uani 1 1 d .
H7B H 0.2667 0.5806 0.0509 0.197 Uiso 1 1 calc R
H7C H 0.3939 0.5956 0.1270 0.197 Uiso 1 1 calc R
H7D H 0.4131 0.6479 0.0569 0.197 Uiso 1 1 calc R
C7A C 0.2561(4) 0.6645(3) 0.4067(3) 0.0612(10) Uani 1 1 d .
H7A H 0.1653 0.6518 0.4047 0.073 Uiso 1 1 calc R
C8A C 0.3566(4) 0.7479(3) 0.4868(2) 0.0503(9) Uani 1 1 d .
C9 C 0.9734(5) 0.8856(4) 0.6519(4) 0.0879(15) Uani 1 1 d .
H9A H 1.0646 0.9052 0.6897 0.132 Uiso 1 1 calc R
H9B H 0.9512 0.8233 0.5927 0.132 Uiso 1 1 calc R
H9C H 0.9111 0.8716 0.6875 0.132 Uiso 1 1 calc R
C9A C 0.3119(5) 0.8067(4) 0.5720(3) 0.0714(12) Uani 1 1 d .
C10 C 0.7136(6) 0.8895(5) 0.2358(4) 0.1041(17) Uani 1 1 d .
H10A H 0.7614 0.9007 0.1913 0.156 Uiso 1 1 calc R
H10B H 0.7399 0.8421 0.2564 0.156 Uiso 1 1 calc R
H10C H 0.7357 0.9559 0.2908 0.156 Uiso 1 1 calc R
C10A C 0.1665(7) 0.5073(4) 0.2472(4) 0.0888(16) Uani 1 1 d .
C11 C 0.6313(7) 0.7015(4) 0.7146(4) 0.117(2) Uani 1 1 d .
H11A H 0.5580 0.6348 0.6746 0.175 Uiso 1 1 calc R
H11B H 0.7019 0.6909 0.7511 0.175 Uiso 1 1 calc R
H11C H 0.6671 0.7317 0.6746 0.175 Uiso 1 1 calc R
Co1 Co 1.0000 1.0000 1.0000 0.0523(2) Uani 1 2 d S
Co2 Co 0.57848(5) 0.73457(4) 0.40002(3) 0.04824(15) Uani 1 1 d .
F1 F 0.1804(3) 0.7726(3) 0.5590(2) 0.1174(11) Uani 1 1 d .
F1B F 0.7250(4) 1.1251(3) 1.1804(3) 0.1254(13) Uani 1 1 d .
F2 F 0.3723(3) 0.8059(3) 0.65094(18) 0.1106(11) Uani 1 1 d .
F2B F 0.7686(4) 1.2693(3) 1.1694(3) 0.1321(14) Uani 1 1 d .
F3 F 0.3485(4) 0.9088(3) 0.5918(2) 0.1165(11) Uani 1 1 d .
F3B F 0.9093(4) 1.2507(3) 1.26286(19) 0.1070(10) Uani 1 1 d .
F4A F 0.2088(14) 0.4432(12) 0.1799(11) 0.130(4) Uani 0.50 1 d P
F4B F 0.9856(18) 1.2090(10) 0.8396(6) 0.148(7) Uani 0.70 1 d P
F4C F 0.926(3) 1.225(3) 0.849(2) 0.145(16) Uani 0.30 1 d P
F4D F 0.1802(17) 0.4178(8) 0.2276(17) 0.142(5) Uani 0.50 1 d P
F5A F 0.0751(19) 0.4599(13) 0.2735(7) 0.195(9) Uani 0.70 1 d P
F5B F 0.9839(15) 1.3395(9) 0.9583(8) 0.132(5) Uani 0.70 1 d P
F5C F 1.048(4) 1.3541(16) 0.9759(14) 0.115(11) Uani 0.30 1 d P
F5D F 0.048(2) 0.497(2) 0.269(3) 0.166(18) Uani 0.30 1 d P
F6A F 0.1065(15) 0.5352(13) 0.1921(10) 0.137(6) Uani 0.70 1 d P
F6B F 1.1594(13) 1.3044(10) 0.9574(8) 0.147(5) Uani 0.70 1 d P
F6C F 1.130(3) 1.257(3) 0.897(3) 0.139(11) Uani 0.30 1 d P
F6D F 0.155(5) 0.516(4) 0.170(2) 0.21(2) Uani 0.30 1 d P
F7A F 0.6673(14) 0.5709(8) 0.1145(7) 0.096(4) Uani 0.50 1 d P
F7B F 0.609(2) 0.5341(18) 0.1063(9) 0.230(12) Uani 0.50 1 d P
F8 F 0.8308(8) 0.5807(7) 0.1753(4) 0.230(3) Uani 1 1 d .
F9A F 0.623(2) 0.4326(8) 0.1290(7) 0.202(8) Uani 0.50 1 d P
F9B F 0.7342(11) 0.4590(7) 0.1539(6) 0.103(3) Uani 0.50 1 d P
F10A F 0.753(3) 0.4444(13) 0.4426(12) 0.134(8) Uani 0.50 1 d P
F10B F 0.825(3) 0.489(3) 0.464(2) 0.198(13) Uani 0.50 1 d P
F11A F 0.867(2) 0.5977(16) 0.5502(18) 0.180(8) Uani 0.50 1 d P
F11B F 0.801(3) 0.6022(18) 0.5768(10) 0.153(10) Uani 0.50 1 d P
F12A F 0.6520(17) 0.5101(12) 0.5327(10) 0.139(5) Uani 0.70 1 d P
F12B F 0.636(4) 0.453(4) 0.471(4) 0.22(2) Uani 0.30 1 d P
N1 N 0.7303(3) 0.9397(2) 0.71273(19) 0.0494(7) Uani 1 1 d .
N2 N 0.6772(3) 1.0666(2) 0.67179(18) 0.0472(7) Uani 1 1 d .
N3 N 0.3893(3) 0.9638(2) 0.19994(19) 0.0472(7) Uani 1 1 d .
O1 O 0.5723(3) 0.8451(3) 0.1900(2) 0.0747(8) Uani 1 1 d .
O1A O 0.4004(3) 0.6040(2) 0.31659(18) 0.0642(7) Uani 1 1 d .
O1B O 0.9049(3) 1.0769(2) 1.09222(18) 0.0602(7) Uani 1 1 d .
O2 O 0.8717(3) 1.0642(2) 0.55143(18) 0.0626(7) Uani 1 1 d .
O2A O 0.4821(3) 0.78212(19) 0.50160(16) 0.0536(6) Uani 1 1 d .
O2B O 1.0247(3) 1.1105(2) 0.94884(19) 0.0663(7) Uani 1 1 d .
O3 O 0.5925(3) 0.9275(2) 0.92196(18) 0.0638(7) Uani 1 1 d .
O3A O 0.6604(3) 0.6570(2) 0.46656(18) 0.0700(8) Uani 1 1 d .
O4 O 0.7523(3) 0.8711(2) 0.48517(17) 0.0624(7) Uani 1 1 d .
O4A O 0.6560(3) 0.6696(2) 0.28867(17) 0.0605(7) Uani 1 1 d .
O5 O 0.9634(3) 0.9719(2) 0.63041(19) 0.0633(7) Uani 1 1 d .
O6 O 0.8122(3) 0.9028(2) 0.89219(18) 0.0670(7) Uani 1 1 d .
O7 O 0.5811(3) 0.7732(2) 0.78061(19) 0.0675(7) Uani 1 1 d .
O8 O 0.5112(3) 0.81491(19) 0.32969(17) 0.0604(7) Uani 1 1 d .
O9 O 0.3451(3) 0.7200(2) 0.1608(2) 0.0861(10) Uani 1 1 d .
P1 P 0.82937(10) 0.96764(8) 0.57329(6) 0.0494(2) Uani 1 1 d .
P2 P 0.67309(10) 0.88937(8) 0.85108(6) 0.0499(2) Uani 1 1 d .
P3 P 0.46327(11) 0.81909(7) 0.24007(6) 0.0515(2) 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
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'
Co Co 0.3494 0.9721 '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'
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'
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
N2 C1 N1 125.0(3) . .
N2 C1 P1 120.0(2) . .
N1 C1 P1 114.9(2) . .
O4A C1A C2A 128.1(3) . .
O4A C1A C5A 114.1(3) . .
C2A C1A C5A 117.7(4) . .
O1B C1B C5B 127.4(4) . .
O1B C1B C2B 113.8(3) . .
C5B C1B C2B 118.7(4) . .
N1 C2 N3 125.0(3) . 2_676
N1 C2 P2 112.9(2) . .
N3 C2 P2 122.1(3) 2_676 .
C1A C2A C3A 123.5(3) . .
C1A C2A H2A 118.2 . .
C3A C2A H2A 118.2 . .
F2B C2B F1B 108.5(4) . .
F2B C2B F3B 105.8(4) . .
F1B C2B F3B 105.4(4) . .
F2B C2B C1B 114.0(4) . .
F1B C2B C1B 111.9(4) . .
F3B C2B C1B 110.8(4) . .
O2 C3 H3A 109.5 . .
O2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
O2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O3A C3A C2A 127.6(3) . .
O3A C3A C4A 114.5(4) . .
C2A C3A C4A 117.9(4) . .
O2B C3B C5B 129.0(4) . .
O2B C3B C4B 112.3(4) . .
C5B C3B C4B 118.6(4) . .
O3 C4 H4A 109.5 . .
O3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
O3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
F11B C4A F10B 107.2(16) . .
F11B C4A F10A 130.2(11) . .
F10B C4A F10A 35.7(17) . .
F11B C4A F11A 39.9(12) . .
F10B C4A F11A 72.9(15) . .
F10A C4A F11A 106.0(14) . .
F11B C4A F12B 118(2) . .
F10B C4A F12B 100(2) . .
F10A C4A F12B 65(3) . .
F11A C4A F12B 144.1(13) . .
F11B C4A F12A 77.2(11) . .
F10B C4A F12A 127.4(13) . .
F10A C4A F12A 101.1(11) . .
F11A C4A F12A 114.0(12) . .
F12B C4A F12A 43(2) . .
F11B C4A C3A 112.3(9) . .
F10B C4A C3A 114.0(10) . .
F10A C4A C3A 114.1(8) . .
F11A C4A C3A 109.7(10) . .
F12B C4A C3A 105.5(12) . .
F12A C4A C3A 111.7(7) . .
F5C C4B F4B 124.6(13) . .
F5C C4B F6C 105.8(19) . .
F4B C4B F6C 71.3(16) . .
F5C C4B F6B 77.0(17) . .
F4B C4B F6B 109.6(10) . .
F6C C4B F6B 39.4(16) . .
F5C C4B F5B 28.5(19) . .
F4B C4B F5B 109.1(9) . .
F6C C4B F5B 126.9(13) . .
F6B C4B F5B 105.0(9) . .
F5C C4B F4C 105(2) . .
F4B C4B F4C 33.2(17) . .
F6C C4B F4C 102(2) . .
F6B C4B F4C 135.9(16) . .
F5B C4B F4C 80.9(16) . .
F5C C4B C3B 117.7(11) . .
F4B C4B C3B 111.9(7) . .
F6C C4B C3B 115.9(10) . .
F6B C4B C3B 108.4(6) . .
F5B C4B C3B 112.6(7) . .
F4C C4B C3B 109.1(16) . .
F7A C5A F7B 30.8(13) . .
F7A C5A F9B 126.8(7) . .
F7B C5A F9B 119.4(10) . .
F7A C5A F9A 107.2(10) . .
F7B C5A F9A 81.5(13) . .
F9B C5A F9A 49.7(8) . .
F7A C5A F8 88.1(7) . .
F7B C5A F8 117.1(12) . .
F9B C5A F8 78.6(7) . .
F9A C5A F8 125.2(10) . .
F7A C5A C1A 118.0(6) . .
F7B C5A C1A 114.7(9) . .
F9B C5A C1A 115.1(6) . .
F9A C5A C1A 111.1(6) . .
F8 C5A C1A 106.1(6) . .
C3B C5B C1B 124.0(4) . .
C3B C5B H5B 118.0 . .
C1B C5B H5B 118.0 . .
N2 C6 N3 126.0(3) 2_676 .
N2 C6 P3 116.6(2) 2_676 .
N3 C6 P3 117.4(2) . .
O1A C6A C7A 129.0(4) . .
O1A C6A C10A 115.6(4) . .
C7A C6A C10A 115.4(5) . .
O9 C7 H7B 109.5 . .
O9 C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O9 C7 H7D 109.5 . .
H7B C7 H7D 109.5 . .
H7C C7 H7D 109.5 . .
C8A C7A C6A 121.5(4) . .
C8A C7A H7A 119.3 . .
C6A C7A H7A 119.3 . .
O2A C8A C7A 129.5(4) . .
O2A C8A C9A 113.2(3) . .
C7A C8A C9A 117.3(4) . .
O5 C9 H9A 109.5 . .
O5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
F1 C9A F2 108.7(4) . .
F1 C9A F3 105.5(4) . .
F2 C9A F3 105.2(4) . .
F1 C9A C8A 114.8(4) . .
F2 C9A C8A 111.5(3) . .
F3 C9A C8A 110.5(4) . .
O1 C10 H10A 109.5 . .
O1 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
O1 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
F6D C10A F5A 128(2) . .
F6D C10A F6A 34(3) . .
F5A C10A F6A 105.0(11) . .
F6D C10A F4D 105(3) . .
F5A C10A F4D 76.3(10) . .
F6A C10A F4D 128.9(11) . .
F6D C10A F5D 109(2) . .
F5A C10A F5D 31.2(16) . .
F6A C10A F5D 78(2) . .
F4D C10A F5D 105.7(14) . .
F6D C10A F4A 64(3) . .
F5A C10A F4A 114.6(10) . .
F6A C10A F4A 96.0(10) . .
F4D C10A F4A 44.5(8) . .
F5D C10A F4A 134.4(11) . .
F6D C10A C6A 111.8(16) . .
F5A C10A C6A 115.7(6) . .
F6A C10A C6A 113.0(8) . .
F4D C10A C6A 111.5(7) . .
F5D C10A C6A 113.1(12) . .
F4A C10A C6A 110.7(7) . .
O7 C11 H11A 109.5 . .
O7 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
O7 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O2B Co1 O2B 180.00 2_777 .
O2B Co1 O1B 90.86(10) 2_777 .
O2B Co1 O1B 89.14(10) . .
O2B Co1 O1B 89.14(10) 2_777 2_777
O2B Co1 O1B 90.86(11) . 2_777
O1B Co1 O1B 180.00 . 2_777
O2B Co1 O6 89.30(11) 2_777 .
O2B Co1 O6 90.70(11) . .
O1B Co1 O6 91.18(11) . .
O1B Co1 O6 88.82(11) 2_777 .
O2B Co1 O6 90.70(11) 2_777 2_777
O2B Co1 O6 89.30(11) . 2_777
O1B Co1 O6 88.82(11) . 2_777
O1B Co1 O6 91.18(11) 2_777 2_777
O6 Co1 O6 180.00 . 2_777
O2A Co2 O4A 173.11(11) . .
O2A Co2 O1A 88.28(11) . .
O4A Co2 O1A 84.91(12) . .
O2A Co2 O3A 92.51(10) . .
O4A Co2 O3A 86.95(10) . .
O1A Co2 O3A 94.07(12) . .
O2A Co2 O8 91.58(10) . .
O4A Co2 O8 89.29(9) . .
O1A Co2 O8 88.62(11) . .
O3A Co2 O8 175.17(12) . .
O2A Co2 O4 89.82(10) . .
O4A Co2 O4 97.02(11) . .
O1A Co2 O4 177.14(11) . .
O3A Co2 O4 88.15(12) . .
O8 Co2 O4 89.29(11) . .
F4D F4A C10A 64.3(11) . .
F4D F4A F6D 114(3) . .
C10A F4A F6D 54.2(17) . .
F4C F4B C4B 81(3) . .
F4C F4B F6C 131(3) . .
C4B F4B F6C 55.0(10) . .
F4B F4C C4B 66(2) . .
F4B F4C F5B 109(3) . .
C4B F4C F5B 48.9(10) . .
F4A F4D C10A 71.2(12) . .
F4A F4D F5A 115.3(16) . .
C10A F4D F5A 50.8(7) . .
F5D F5A C10A 82(3) . .
F5D F5A F4D 131(4) . .
C10A F5A F4D 52.9(7) . .
F5C F5B C4B 67(3) . .
F5C F5B F4C 110(3) . .
C4B F5B F4C 50.2(10) . .
F5B F5C C4B 85(3) . .
F5B F5C F6B 137(3) . .
C4B F5C F6B 53.3(11) . .
F5A F5D C10A 67(2) . .
F5A F5D F6A 109(4) . .
C10A F5D F6A 48.3(14) . .
F6D F6A C10A 73(3) . .
F6D F6A F5D 121(3) . .
C10A F6A F5D 53.3(10) . .
F6C F6B C4B 69(2) . .
F6C F6B F5C 107(2) . .
C4B F6B F5C 49.7(11) . .
F6B F6C C4B 71.2(19) . .
F6B F6C F4B 123(3) . .
C4B F6C F4B 53.7(11) . .
F6A F6D C10A 73(3) . .
F6A F6D F4A 130(4) . .
C10A F6D F4A 61.5(16) . .
F7B F7A C5A 78.3(18) . .
F7A F7B C5A 71(2) . .
F7A F7B F9A 115(3) . .
C5A F7B F9A 51.5(9) . .
C5A F8 F9B 47.8(4) . .
F9B F9A C5A 61.2(8) . .
F9B F9A F7B 99.8(12) . .
C5A F9A F7B 47.0(8) . .
F9A F9B C5A 69.1(8) . .
F9A F9B F8 119.7(10) . .
C5A F9B F8 53.5(5) . .
F10B F10A C4A 70(2) . .
F10B F10A F12B 126(3) . .
C4A F10A F12B 58.3(16) . .
F10A F10B C4A 74(3) . .
F10A F10B F11A 125(3) . .
C4A F10B F11A 55.2(11) . .
F11B F11A C4A 66(2) . .
F11B F11A F10B 111(3) . .
C4A F11A F10B 51.9(12) . .
F11A F11B C4A 73.8(19) . .
F11A F11B F12A 123(3) . .
C4A F11B F12A 53.3(11) . .
F12B F12A C4A 68(2) . .
F12B F12A F11B 116(3) . .
C4A F12A F11B 49.5(7) . .
F12A F12B C4A 69(2) . .
F12A F12B F10A 116(3) . .
C4A F12B F10A 56.7(17) . .
C2 N1 C1 115.4(3) . .
C1 N2 C6 114.4(3) . 2_676
C6 N3 C2 114.2(3) . 2_676
C10 O1 P3 124.2(3) . .
C6A O1A Co2 123.8(3) . .
C1B O1B Co1 125.5(2) . .
C3 O2 P1 124.7(2) . .
C8A O2A Co2 124.6(2) . .
C3B O2B Co1 124.8(3) . .
C4 O3 P2 120.4(3) . .
C3A O3A Co2 125.6(2) . .
P1 O4 Co2 152.19(17) . .
C1A O4A Co2 124.7(2) . .
C9 O5 P1 122.8(3) . .
P2 O6 Co1 147.75(18) . .
C11 O7 P2 122.1(3) . .
P3 O8 Co2 148.76(16) . .
C7 O9 P3 126.8(4) . .
O4 P1 O5 116.22(16) . .
O4 P1 O2 110.83(15) . .
O5 P1 O2 104.74(16) . .
O4 P1 C1 112.85(16) . .
O5 P1 C1 104.01(15) . .
O2 P1 C1 107.47(15) . .
O6 P2 O3 117.43(16) . .
O6 P2 O7 113.51(17) . .
O3 P2 O7 104.92(17) . .
O6 P2 C2 110.67(17) . .
O3 P2 C2 103.37(14) . .
O7 P2 C2 105.87(15) . .
O8 P3 O9 116.54(18) . .
O8 P3 O1 115.69(17) . .
O9 P3 O1 105.40(19) . .
O8 P3 C6 110.82(14) . .
O9 P3 C6 100.10(17) . .
O1 P3 C6 106.78(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.330(4) .
C1 N1 1.338(4) .
C1 P1 1.828(3) .
C1A O4A 1.251(4) .
C1A C2A 1.374(5) .
C1A C5A 1.516(6) .
C1B O1B 1.251(4) .
C1B C5B 1.379(5) .
C1B C2B 1.517(6) .
C2 N1 1.332(4) .
C2 N3 1.338(4) 2_676
C2 P2 1.821(3) .
C2A C3A 1.385(5) .
C2A H2A 0.9300 .
C2B F2B 1.303(5) .
C2B F1B 1.307(5) .
C2B F3B 1.311(5) .
C3 O2 1.438(5) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C3A O3A 1.244(4) .
C3A C4A 1.522(6) .
C3B O2B 1.251(5) .
C3B C5B 1.377(6) .
C3B C4B 1.523(6) .
C4 O3 1.453(4) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C4A F11B 1.256(19) .
C4A F10B 1.26(2) .
C4A F10A 1.297(14) .
C4A F11A 1.32(2) .
C4A F12B 1.32(3) .
C4A F12A 1.323(13) .
C4B F5C 1.23(2) .
C4B F4B 1.259(10) .
C4B F6C 1.28(2) .
C4B F6B 1.294(13) .
C4B F5B 1.334(13) .
C4B F4C 1.36(2) .
C5A F7A 1.212(11) .
C5A F7B 1.256(16) .
C5A F9B 1.261(8) .
C5A F9A 1.345(11) .
C5A F8 1.369(9) .
C5B H5B 0.9300 .
C6 N2 1.337(4) 2_676
C6 N3 1.338(4) .
C6 P3 1.822(3) .
C6A O1A 1.229(5) .
C6A C7A 1.404(6) .
C6A C10A 1.528(6) .
C7 O9 1.402(6) .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C7 H7D 0.9600 .
C7A C8A 1.383(5) .
C7A H7A 0.9300 .
C8A O2A 1.245(4) .
C8A C9A 1.518(5) .
C9 O5 1.456(5) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C9A F1 1.308(5) .
C9A F2 1.309(5) .
C9A F3 1.335(5) .
C10 O1 1.409(6) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C10A F6D 1.25(2) .
C10A F5A 1.253(13) .
C10A F6A 1.253(11) .
C10A F4D 1.290(11) .
C10A F5D 1.35(2) .
C10A F4A 1.355(13) .
C11 O7 1.460(6) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
Co1 O2B 2.040(2) 2_777
Co1 O2B 2.040(2) .
Co1 O1B 2.063(2) .
Co1 O1B 2.063(3) 2_777
Co1 O6 2.109(3) .
Co1 O6 2.109(3) 2_777
Co2 O2A 2.036(2) .
Co2 O4A 2.065(2) .
Co2 O1A 2.076(3) .
Co2 O3A 2.081(2) .
Co2 O8 2.084(2) .
Co2 O4 2.094(3) .
F4A F4D 1.003(15) .
F4A F6D 1.39(5) .
F4B F4C 0.75(4) .
F4B F6C 1.48(3) .
F4C F5B 1.75(3) .
F4D F5A 1.570(18) .
F5A F5D 0.71(3) .
F5B F5C 0.64(4) .
F5C F6B 1.57(3) .
F5D F6A 1.65(4) .
F6A F6D 0.73(7) .
F6B F6C 0.87(3) .
F7A F7B 0.66(3) .
F7B F9A 1.70(2) .
F8 F9B 1.669(12) .
F9A F9B 1.098(17) .
F10A F10B 0.79(4) .
F10A F12B 1.41(5) .
F10B F11A 1.53(3) .
F11A F11B 0.88(3) .
F11B F12A 1.61(3) .
F12A F12B 0.97(5) .
N2 C6 1.337(4) 2_676
N3 C2 1.338(4) 2_676
O1 P3 1.542(3) .
O2 P1 1.546(3) .
O3 P2 1.543(3) .
O4 P1 1.452(3) .
O5 P1 1.541(3) .
O6 P2 1.455(3) .
O7 P2 1.549(3) .
O8 P3 1.448(2) .
O9 P3 1.542(3) .
