# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1.PF6_RT
_database_code_depnum_ccdc_archive 'CCDC 1006362'
_audit_update_record             
;
2015-03-27 deposited with the CCDC.
2015-03-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H22 Cl0 Co F6 N7 O0 P'
_chemical_formula_weight         660.43

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'
Cl Cl 0.1484 0.1585 '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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.3203(12)
_cell_length_b                   8.6991(6)
_cell_length_c                   21.5900(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.555(3)
_cell_angle_gamma                90.00
_cell_volume                     2877.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'hexagonal shaped'
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1340
_exptl_absorpt_coefficient_mu    0.723
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  2.3
_exptl_absorpt_correction_T_max  25.0
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            48586
_diffrn_reflns_av_R_equivalents  0.0600
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         25.05
_reflns_number_total             5082
_reflns_number_gt                3997
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker sAINT'
_computing_data_reduction        'BRUKER SAINT A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0859P)²+8.5997P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5082
_refine_ls_number_parameters     368
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0755
_refine_ls_wR_factor_ref         0.2096
_refine_ls_wR_factor_gt          0.1977
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C26 C 0.1038(4) -0.0150(7) 0.3553(3) 0.0618(15) Uiso 1 1 d . . .
H26 H 0.1507 0.0059 0.3816 0.074 Uiso 1 1 calc R . .
C25 C 0.0228(5) -0.0485(8) 0.3813(3) 0.0728(18) Uiso 1 1 d . . .
H25 H 0.0157 -0.0507 0.4241 0.087 Uiso 1 1 calc R . .
C24 C -0.0453(4) -0.0777(9) 0.3424(3) 0.0758(19) Uani 1 1 d . . .
H24 H -0.0999 -0.1015 0.3583 0.091 Uiso 1 1 calc R . .
C23 C -0.0336(4) -0.0722(7) 0.2790(3) 0.0604(15) Uani 1 1 d . . .
H23 H -0.0800 -0.0923 0.2520 0.072 Uiso 1 1 calc R . .
C22 C 0.0478(3) -0.0364(5) 0.2563(2) 0.0428(11) Uani 1 1 d . . .
C15 C 0.0670(3) -0.0254(5) 0.1891(2) 0.0426(11) Uani 1 1 d . . .
C16 C -0.0048(3) -0.0383(6) 0.1422(3) 0.0481(13) Uani 1 1 d . . .
C21 C -0.0753(4) 0.0617(8) 0.1440(3) 0.0607(15) Uani 1 1 d . . .
H21 H -0.0768 0.1371 0.1745 0.073 Uiso 1 1 calc R . .
C20 C -0.1423(4) 0.0523(10) 0.1020(4) 0.079(2) Uani 1 1 d . . .
H20 H -0.1888 0.1209 0.1036 0.094 Uiso 1 1 calc R . .
C19 C -0.1398(5) -0.0604(12) 0.0576(4) 0.090(3) Uani 1 1 d . . .
H19 H -0.1852 -0.0686 0.0289 0.108 Uiso 1 1 calc R . .
C18 C -0.0710(5) -0.1611(11) 0.0550(3) 0.090(2) Uani 1 1 d . . .
H18 H -0.0705 -0.2373 0.0249 0.108 Uiso 1 1 calc R . .
C17 C -0.0028(4) -0.1503(8) 0.0966(3) 0.0686(17) Uani 1 1 d . . .
H17 H 0.0442 -0.2176 0.0942 0.082 Uiso 1 1 calc R . .
C14 C 0.1836(4) 0.0187(11) 0.1154(3) 0.087(3) Uani 1 1 d . . .
H14A H 0.1591 -0.0577 0.0874 0.105 Uiso 1 1 calc R . .
H14B H 0.1657 0.1192 0.1004 0.105 Uiso 1 1 calc R . .
C13 C 0.2750(4) 0.0092(10) 0.1137(3) 0.087(3) Uani 1 1 d . . .
H13A H 0.2966 0.0872 0.0856 0.104 Uiso 1 1 calc R . .
H13B H 0.2912 -0.0903 0.0972 0.104 Uiso 1 1 calc R . .
C6 C 0.3981(3) 0.0493(6) 0.1833(2) 0.0419(11) Uani 1 1 d . . .
C5 C 0.4245(3) 0.0545(6) 0.2498(3) 0.0471(12) Uani 1 1 d . . .
C4 C 0.5094(4) 0.0855(9) 0.2697(3) 0.0727(19) Uani 1 1 d . . .
H4 H 0.5527 0.1063 0.2409 0.087 Uiso 1 1 calc R . .
C3 C 0.5290(5) 0.0852(12) 0.3313(4) 0.097(3) Uani 1 1 d . . .
H3 H 0.5854 0.1066 0.3450 0.116 Uiso 1 1 calc R . .
C2 C 0.4654(6) 0.0535(11) 0.3722(4) 0.093(3) Uani 1 1 d . . .
H2 H 0.4780 0.0509 0.4144 0.112 Uiso 1 1 calc R . .
C1 C 0.3814(5) 0.0248(8) 0.3512(3) 0.076(2) Uani 1 1 d . . .
H1 H 0.3380 0.0044 0.3799 0.091 Uiso 1 1 calc R . .
C7 C 0.4651(3) 0.0673(7) 0.1347(3) 0.0523(14) Uani 1 1 d . . .
C8 C 0.5355(4) -0.0328(9) 0.1325(4) 0.076(2) Uani 1 1 d . . .
H8 H 0.5407 -0.1117 0.1613 0.091 Uiso 1 1 calc R . .
C9 C 0.5974(5) -0.0145(12) 0.0874(5) 0.111(3) Uani 1 1 d . . .
H9 H 0.6440 -0.0829 0.0858 0.133 Uiso 1 1 calc R . .
C10 C 0.5923(6) 0.0993(15) 0.0457(5) 0.118(4) Uani 1 1 d . . .
H10 H 0.6351 0.1093 0.0157 0.142 Uiso 1 1 calc R . .
C11 C 0.5234(6) 0.2018(11) 0.0472(4) 0.101(3) Uani 1 1 d . . .
H11 H 0.5203 0.2816 0.0186 0.121 Uiso 1 1 calc R . .
C12 C 0.4582(4) 0.1858(8) 0.0919(3) 0.0729(19) Uani 1 1 d . . .
H12 H 0.4112 0.2534 0.0928 0.088 Uiso 1 1 calc R . .
C27 C 0.2625(3) -0.3604(6) 0.2580(3) 0.0567(15) Uani 1 1 d . . .
C28 C 0.2559(3) -0.6239(6) 0.2599(2) 0.0489(13) Uiso 1 1 d . . .
N4 N 0.1168(3) -0.0116(5) 0.2943(2) 0.0441(10) Uani 1 1 d . . .
N1 N 0.3605(3) 0.0254(5) 0.2901(2) 0.0468(10) Uani 1 1 d . . .
N2 N 0.3173(3) 0.0293(5) 0.17398(19) 0.0442(10) Uani 1 1 d . . .
N3 N 0.1475(3) -0.0050(5) 0.1772(2) 0.0455(10) Uani 1 1 d . . .
N5 N 0.2469(3) -0.2348(6) 0.2556(3) 0.0681(15) Uani 1 1 d . . .
N6 N 0.2934(4) -0.4950(6) 0.2638(5) 0.128(4) Uani 1 1 d . . .
N7 N 0.2318(3) -0.7481(6) 0.2595(2) 0.0592(12) Uiso 1 1 d . . .
Co1 Co 0.23603(4) 0.00834(7) 0.24809(3) 0.0392(2) Uani 1 1 d . . .
P01 P 0.24966(13) -0.4783(2) 0.03219(8) 0.0708(5) Uani 1 1 d . . .
F1 F 0.2648(8) -0.6091(14) -0.0122(5) 0.263(6) Uani 1 1 d . . .
F2 F 0.2472(4) -0.3883(12) -0.0282(3) 0.193(4) Uani 1 1 d . . .
F3 F 0.1513(5) -0.5140(12) 0.0255(4) 0.208(4) Uani 1 1 d . . .
F4 F 0.2217(9) -0.3611(12) 0.0743(6) 0.315(7) Uani 1 1 d . . .
F6 F 0.3451(4) -0.4485(14) 0.0378(4) 0.255(6) Uani 1 1 d . . .
F5 F 0.2573(5) -0.5853(11) 0.0882(4) 0.210(4) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C26 N4 1.332(8) . ?
C26 C25 1.399(9) . ?
C26 H26 0.9300 . ?
C25 C24 1.358(10) . ?
C25 H25 0.9300 . ?
C24 C23 1.383(9) . ?
C24 H24 0.9300 . ?
C23 C22 1.381(7) . ?
C23 H23 0.9300 . ?
C22 N4 1.349(7) . ?
C22 C15 1.487(7) . ?
C15 N3 1.275(6) . ?
C15 C16 1.491(7) . ?
C16 C17 1.386(8) . ?
C16 C21 1.387(8) . ?
C21 C20 1.366(9) . ?
C21 H21 0.9300 . ?
C20 C19 1.372(11) . ?
C20 H20 0.9300 . ?
C19 C18 1.372(11) . ?
C19 H19 0.9300 . ?
C18 C17 1.374(9) . ?
C18 H18 0.9300 . ?
C17 H17 0.9300 . ?
C14 C13 1.404(9) . ?
C14 N3 1.465(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C13 N2 1.459(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C6 N2 1.265(6) . ?
C6 C7 1.483(7) . ?
C6 C5 1.489(7) . ?
C5 N1 1.342(7) . ?
C5 C4 1.392(8) . ?
C4 C3 1.361(10) . ?
C4 H4 0.9300 . ?
C3 C2 1.350(12) . ?
C3 H3 0.9300 . ?
C2 C1 1.383(11) . ?
C2 H2 0.9300 . ?
C1 N1 1.354(8) . ?
C1 H1 0.9300 . ?
C7 C8 1.387(9) . ?
C7 C12 1.387(9) . ?
C8 C9 1.376(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.340(15) . ?
C9 H9 0.9300 . ?
C10 C11 1.383(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.402(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C27 N5 1.119(7) . ?
C27 N6 1.270(7) . ?
C28 N7 1.142(7) . ?
C28 N6 1.262(8) . ?
N4 Co1 2.097(4) . ?
N1 Co1 2.109(5) . ?
N2 Co1 2.045(4) . ?
N3 Co1 2.038(4) . ?
N5 Co1 2.127(5) . ?
N7 Co1 2.134(5) 1_545 ?
Co1 N7 2.134(5) 1_565 ?
P01 F4 1.434(8) . ?
P01 F6 1.488(6) . ?
P01 F1 1.507(9) . ?
P01 F2 1.521(6) . ?
P01 F5 1.530(6) . ?
P01 F3 1.544(7) . ?

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
N4 C26 C25 122.9(6) . . ?
N4 C26 H26 118.5 . . ?
C25 C26 H26 118.5 . . ?
C24 C25 C26 118.0(7) . . ?
C24 C25 H25 121.0 . . ?
C26 C25 H25 121.0 . . ?
C25 C24 C23 120.0(6) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C22 C23 C24 119.0(6) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
N4 C22 C23 121.7(5) . . ?
N4 C22 C15 115.0(4) . . ?
C23 C22 C15 123.2(5) . . ?
N3 C15 C22 113.9(4) . . ?
N3 C15 C16 125.7(5) . . ?
C22 C15 C16 120.4(4) . . ?
C17 C16 C21 118.9(5) . . ?
C17 C16 C15 120.9(5) . . ?
C21 C16 C15 120.2(5) . . ?
C20 C21 C16 121.6(7) . . ?
C20 C21 H21 119.2 . . ?
C16 C21 H21 119.2 . . ?
C21 C20 C19 118.7(7) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C20 C19 C18 120.8(6) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C18 C17 120.6(7) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C17 C16 119.3(7) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C13 C14 N3 113.6(5) . . ?
C13 C14 H14A 108.8 . . ?
N3 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
N3 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C14 C13 N2 113.9(5) . . ?
C14 C13 H13A 108.8 . . ?
N2 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
N2 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
N2 C6 C7 125.9(5) . . ?
N2 C6 C5 114.4(4) . . ?
C7 C6 C5 119.7(4) . . ?
N1 C5 C4 121.5(5) . . ?
N1 C5 C6 115.2(4) . . ?
C4 C5 C6 123.2(5) . . ?
C3 C4 C5 119.9(7) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C2 C3 C4 119.1(7) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C2 C1 119.8(7) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
N1 C1 C2 121.9(7) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C8 C7 C12 119.9(6) . . ?
C8 C7 C6 120.0(6) . . ?
C12 C7 C6 120.0(5) . . ?
C9 C8 C7 119.5(8) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 121.6(9) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 120.0(7) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 120.1(9) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 118.8(7) . . ?
C7 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
N5 C27 N6 169.9(7) . . ?
N7 C28 N6 171.1(7) . . ?
C26 N4 C22 118.2(5) . . ?
C26 N4 Co1 127.7(4) . . ?
C22 N4 Co1 113.9(3) . . ?
C5 N1 C1 117.7(5) . . ?
C5 N1 Co1 113.5(3) . . ?
C1 N1 Co1 128.5(5) . . ?
C6 N2 C13 125.7(5) . . ?
C6 N2 Co1 119.4(4) . . ?
C13 N2 Co1 114.8(3) . . ?
C15 N3 C14 125.3(5) . . ?
C15 N3 Co1 119.7(4) . . ?
C14 N3 Co1 114.9(3) . . ?
C27 N5 Co1 172.1(5) . . ?
C28 N6 C27 130.1(6) . . ?
C28 N7 Co1 158.4(5) . 1_545 ?
N3 Co1 N2 79.84(17) . . ?
N3 Co1 N4 77.06(17) . . ?
N2 Co1 N4 156.84(17) . . ?
N3 Co1 N1 156.83(17) . . ?
N2 Co1 N1 77.02(17) . . ?
N4 Co1 N1 126.10(17) . . ?
N3 Co1 N5 93.0(2) . . ?
N2 Co1 N5 95.75(18) . . ?
N4 Co1 N5 87.14(17) . . ?
N1 Co1 N5 88.13(18) . . ?
N3 Co1 N7 97.01(18) . 1_565 ?
N2 Co1 N7 91.20(18) . 1_565 ?
N4 Co1 N7 89.96(17) . 1_565 ?
N1 Co1 N7 84.79(17) . 1_565 ?
N5 Co1 N7 168.7(2) . 1_565 ?
F4 P01 F6 97.1(7) . . ?
F4 P01 F1 171.3(7) . . ?
F6 P01 F1 91.5(7) . . ?
F4 P01 F2 99.9(7) . . ?
F6 P01 F2 89.8(4) . . ?
F1 P01 F2 81.2(6) . . ?
F4 P01 F5 87.3(7) . . ?
F6 P01 F5 88.5(4) . . ?
F1 P01 F5 91.8(7) . . ?
F2 P01 F5 172.7(6) . . ?
F4 P01 F3 84.5(6) . . ?
F6 P01 F3 178.2(7) . . ?
F1 P01 F3 86.8(6) . . ?
F2 P01 F3 90.4(4) . . ?
F5 P01 F3 91.1(5) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 C26 C25 C24 -0.4(10) . . . . ?
C26 C25 C24 C23 -0.7(11) . . . . ?
C25 C24 C23 C22 -0.1(11) . . . . ?
C24 C23 C22 N4 2.1(9) . . . . ?
C24 C23 C22 C15 -179.1(6) . . . . ?
N4 C22 C15 N3 4.8(6) . . . . ?
C23 C22 C15 N3 -174.0(5) . . . . ?
N4 C22 C15 C16 -175.2(4) . . . . ?
C23 C22 C15 C16 5.9(8) . . . . ?
N3 C15 C16 C17 57.7(8) . . . . ?
C22 C15 C16 C17 -122.2(6) . . . . ?
N3 C15 C16 C21 -122.7(6) . . . . ?
C22 C15 C16 C21 57.4(7) . . . . ?
C17 C16 C21 C20 0.0(9) . . . . ?
C15 C16 C21 C20 -179.5(6) . . . . ?
C16 C21 C20 C19 0.7(11) . . . . ?
C21 C20 C19 C18 -0.5(12) . . . . ?
C20 C19 C18 C17 -0.5(13) . . . . ?
C19 C18 C17 C16 1.3(11) . . . . ?
C21 C16 C17 C18 -1.0(9) . . . . ?
C15 C16 C17 C18 178.6(6) . . . . ?
N3 C14 C13 N2 -19.4(11) . . . . ?
N2 C6 C5 N1 5.0(7) . . . . ?
C7 C6 C5 N1 -175.1(5) . . . . ?
N2 C6 C5 C4 -175.6(6) . . . . ?
C7 C6 C5 C4 4.2(8) . . . . ?
N1 C5 C4 C3 0.7(10) . . . . ?
C6 C5 C4 C3 -178.7(7) . . . . ?
C5 C4 C3 C2 0.5(13) . . . . ?
C4 C3 C2 C1 -1.2(14) . . . . ?
C3 C2 C1 N1 0.8(13) . . . . ?
N2 C6 C7 C8 -122.3(7) . . . . ?
C5 C6 C7 C8 57.8(8) . . . . ?
N2 C6 C7 C12 58.6(8) . . . . ?
C5 C6 C7 C12 -121.2(6) . . . . ?
C12 C7 C8 C9 -0.7(10) . . . . ?
C6 C7 C8 C9 -179.7(6) . . . . ?
C7 C8 C9 C10 0.9(13) . . . . ?
C8 C9 C10 C11 -0.1(15) . . . . ?
C9 C10 C11 C12 -0.8(13) . . . . ?
C8 C7 C12 C11 -0.2(10) . . . . ?
C6 C7 C12 C11 178.8(6) . . . . ?
C10 C11 C12 C7 1.0(11) . . . . ?
C25 C26 N4 C22 2.3(8) . . . . ?
C25 C26 N4 Co1 -171.5(5) . . . . ?
C23 C22 N4 C26 -3.2(8) . . . . ?
C15 C22 N4 C26 178.0(5) . . . . ?
C23 C22 N4 Co1 171.4(4) . . . . ?
C15 C22 N4 Co1 -7.4(5) . . . . ?
C4 C5 N1 C1 -1.0(8) . . . . ?
C6 C5 N1 C1 178.4(5) . . . . ?
C4 C5 N1 Co1 173.2(5) . . . . ?
C6 C5 N1 Co1 -7.4(5) . . . . ?
C2 C1 N1 C5 0.3(9) . . . . ?
C2 C1 N1 Co1 -172.9(6) . . . . ?
C7 C6 N2 C13 4.7(9) . . . . ?
C5 C6 N2 C13 -175.5(6) . . . . ?
C7 C6 N2 Co1 -179.6(4) . . . . ?
C5 C6 N2 Co1 0.2(6) . . . . ?
C14 C13 N2 C6 -168.4(6) . . . . ?
C14 C13 N2 Co1 15.7(9) . . . . ?
C22 C15 N3 C14 -176.2(6) . . . . ?
C16 C15 N3 C14 3.9(9) . . . . ?
C22 C15 N3 Co1 0.3(6) . . . . ?
C16 C15 N3 Co1 -179.6(4) . . . . ?
C13 C14 N3 C15 -168.6(6) . . . . ?
C13 C14 N3 Co1 14.8(9) . . . . ?
N6 C27 N5 Co1 29(9) . . . . ?
N7 C28 N6 C27 -168(4) . . . . ?
N5 C27 N6 C28 173(4) . . . . ?
N6 C28 N7 Co1 -40(6) . . . 1_545 ?
C15 N3 Co1 N2 178.4(4) . . . . ?
C14 N3 Co1 N2 -4.7(5) . . . . ?
C15 N3 Co1 N4 -3.2(4) . . . . ?
C14 N3 Co1 N4 173.6(5) . . . . ?
C15 N3 Co1 N1 175.3(4) . . . . ?
C14 N3 Co1 N1 -7.9(7) . . . . ?
C15 N3 Co1 N5 83.1(4) . . . . ?
C14 N3 Co1 N5 -100.0(5) . . . . ?
C15 N3 Co1 N7 -91.6(4) . . . 1_565 ?
C14 N3 Co1 N7 85.3(5) . . . 1_565 ?
C6 N2 Co1 N3 178.1(4) . . . . ?
C13 N2 Co1 N3 -5.8(5) . . . . ?
C6 N2 Co1 N4 173.9(4) . . . . ?
C13 N2 Co1 N4 -10.0(7) . . . . ?
C6 N2 Co1 N1 -3.2(4) . . . . ?
C13 N2 Co1 N1 173.0(5) . . . . ?
C6 N2 Co1 N5 -89.9(4) . . . . ?
C13 N2 Co1 N5 86.2(5) . . . . ?
C6 N2 Co1 N7 81.2(4) . . . 1_565 ?
C13 N2 Co1 N7 -102.7(5) . . . 1_565 ?
C26 N4 Co1 N3 179.8(5) . . . . ?
C22 N4 Co1 N3 5.7(3) . . . . ?
C26 N4 Co1 N2 -176.0(4) . . . . ?
C22 N4 Co1 N2 10.0(6) . . . . ?
C26 N4 Co1 N1 0.5(5) . . . . ?
C22 N4 Co1 N1 -173.5(3) . . . . ?
C26 N4 Co1 N5 86.1(5) . . . . ?
C22 N4 Co1 N5 -88.0(4) . . . . ?
C26 N4 Co1 N7 -83.0(5) . . . 1_565 ?
C22 N4 Co1 N7 102.9(4) . . . 1_565 ?
C5 N1 Co1 N3 9.0(6) . . . . ?
C1 N1 Co1 N3 -177.6(5) . . . . ?
C5 N1 Co1 N2 5.8(3) . . . . ?
C1 N1 Co1 N2 179.2(5) . . . . ?
C5 N1 Co1 N4 -172.8(3) . . . . ?
C1 N1 Co1 N4 0.6(6) . . . . ?
C5 N1 Co1 N5 102.1(4) . . . . ?
C1 N1 Co1 N5 -84.5(5) . . . . ?
C5 N1 Co1 N7 -86.7(4) . . . 1_565 ?
C1 N1 Co1 N7 86.7(5) . . . 1_565 ?
C27 N5 Co1 N3 120(4) . . . . ?
C27 N5 Co1 N2 40(4) . . . . ?
C27 N5 Co1 N4 -163(4) . . . . ?
C27 N5 Co1 N1 -37(4) . . . . ?
C27 N5 Co1 N7 -88(5) . . . 1_565 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.830
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.081
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1.PF6_LT
_database_code_depnum_ccdc_archive 'CCDC 1006363'
_audit_update_record             
;
2015-03-27 deposited with the CCDC.
2015-03-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H22 Co F6 N7 P'
_chemical_formula_weight         660.43

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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.2367(13)
_cell_length_b                   8.7181(8)
_cell_length_c                   20.8325(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.757(4)
_cell_angle_gamma                90.00
_cell_volume                     2767.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'hexagonal shaped'
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1340
_exptl_absorpt_coefficient_mu    0.752
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9152
_exptl_absorpt_correction_T_max  0.9563
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            46926
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.35
_diffrn_reflns_theta_max         25.10
_reflns_number_total             4877
_reflns_number_gt                4329
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker sAINT'
_computing_data_reduction        'BRUKER SAINT A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+42.4694P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4877
_refine_ls_number_parameters     393
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1213
_refine_ls_R_factor_gt           0.1106
_refine_ls_wR_factor_ref         0.2273
_refine_ls_wR_factor_gt          0.2226
_refine_ls_goodness_of_fit_ref   1.241
_refine_ls_restrained_S_all      1.237
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C5 C 0.5866(5) 0.4491(9) 0.2495(4) 0.0193(16) Uani 1 1 d . . .
C4 C 0.5013(5) 0.4352(11) 0.2274(4) 0.030(2) Uani 1 1 d . . .
H2 H 0.4541 0.4250 0.2564 0.036 Uiso 1 1 calc R . .
C3 C 0.4861(7) 0.4364(15) 0.1610(5) 0.051(3) Uani 1 1 d . . .
H3 H 0.4282 0.4247 0.1443 0.062 Uiso 1 1 calc R . .
C2 C 0.5547(7) 0.4544(16) 0.1208(4) 0.054(3) Uani 1 1 d . . .
H4 H 0.5453 0.4577 0.0756 0.064 Uiso 1 1 calc R . .
C6 C 0.6113(4) 0.4454(8) 0.3177(4) 0.0166(16) Uani 1 1 d . A .
C7 C 0.5433(5) 0.4322(10) 0.3682(4) 0.0223(18) Uani 1 1 d . . .
C8 C 0.4756(5) 0.5407(13) 0.3689(4) 0.033(2) Uani 1 1 d . . .
H8 H 0.4742 0.6223 0.3387 0.040 Uiso 1 1 calc R . .
C9 C 0.4100(6) 0.5268(16) 0.4150(5) 0.050(3) Uani 1 1 d . . .
H9 H 0.3650 0.6020 0.4171 0.059 Uiso 1 1 calc R . .
C10 C 0.4099(6) 0.4069(16) 0.4569(5) 0.054(3) Uani 1 1 d . . .
H10 H 0.3637 0.3967 0.4868 0.065 Uiso 1 1 calc R . .
C11 C 0.4780(7) 0.2983(15) 0.4558(5) 0.051(3) Uani 1 1 d . . .
H11 H 0.4782 0.2160 0.4857 0.061 Uiso 1 1 calc R . .
C12 C 0.5453(6) 0.3102(12) 0.4113(4) 0.037(2) Uani 1 1 d . . .
H12 H 0.5914 0.2369 0.4105 0.045 Uiso 1 1 calc R . .
C13 C 0.7410(9) 0.414(2) 0.3893(7) 0.018(3) Uani 0.62(2) 1 d PU A 1
H13A H 0.7504 0.3020 0.3932 0.021 Uiso 0.62(2) 1 calc PR A 1
H13B H 0.7060 0.4490 0.4262 0.021 Uiso 0.62(2) 1 calc PR A 1
C14 C 0.8297(12) 0.499(2) 0.3880(8) 0.018(4) Uani 0.62(2) 1 d PU A 1
H14A H 0.8221 0.6079 0.3995 0.021 Uiso 0.62(2) 1 calc PR A 1
H14B H 0.8719 0.4514 0.4186 0.021 Uiso 0.62(2) 1 calc PR A 1
C13A C 0.7356(15) 0.488(4) 0.3911(11) 0.018(3) Uani 0.38(2) 1 d PU A 2
H13C H 0.7332 0.6002 0.3990 0.021 Uiso 0.38(2) 1 calc PR A 2
H13D H 0.7048 0.4350 0.4262 0.021 Uiso 0.38(2) 1 calc PR A 2
C14A C 0.8258(18) 0.437(4) 0.3875(14) 0.015(6) Uani 0.38(2) 1 d PU A 2
H14C H 0.8286 0.3239 0.3926 0.018 Uiso 0.38(2) 1 calc PR A 2
H14D H 0.8614 0.4845 0.4222 0.018 Uiso 0.38(2) 1 calc PR A 2
C15 C 0.9416(5) 0.5082(9) 0.3053(4) 0.0249(18) Uani 1 1 d . A .
C16 C 1.0165(5) 0.5224(11) 0.3507(4) 0.0270(18) Uani 1 1 d . . .
C17 C 1.0152(5) 0.6425(11) 0.3968(4) 0.032(2) Uani 1 1 d . . .
H17 H 0.9670 0.7112 0.3983 0.039 Uiso 1 1 calc R . .
C18 C 1.0851(6) 0.6581(15) 0.4393(5) 0.047(3) Uani 1 1 d . . .
H18 H 1.0848 0.7376 0.4705 0.056 Uiso 1 1 calc R . .
C19 C 1.1551(6) 0.5590(13) 0.4365(5) 0.039(2) Uani 1 1 d . . .
H19 H 1.2026 0.5698 0.4661 0.046 Uiso 1 1 calc R . .
C20 C 1.1570(5) 0.4453(13) 0.3915(4) 0.038(3) Uani 1 1 d . . .
H20 H 1.2055 0.3772 0.3895 0.046 Uiso 1 1 calc R . .
C21 C 1.0868(5) 0.4304(12) 0.3487(4) 0.032(2) Uani 1 1 d . . .
H21 H 1.0888 0.3523 0.3169 0.039 Uiso 1 1 calc R . .
C22 C 0.9531(5) 0.5199(10) 0.2353(4) 0.0260(18) Uani 1 1 d . A .
C23 C 1.0329(5) 0.5584(10) 0.2066(5) 0.033(2) Uani 1 1 d . . .
H23 H 1.0839 0.5759 0.2323 0.039 Uiso 1 1 calc R . .
C24 C 1.0365(6) 0.5705(13) 0.1414(5) 0.043(3) Uani 1 1 d . . .
H24 H 1.0904 0.5945 0.1214 0.051 Uiso 1 1 calc R . .
C25 C 0.9616(7) 0.5478(14) 0.1046(5) 0.048(3) Uani 1 1 d . . .
H25 H 0.9624 0.5583 0.0593 0.058 Uiso 1 1 calc R . .
C26 C 0.8839(6) 0.5083(12) 0.1367(4) 0.036(2) Uani 1 1 d . A .
H26 H 0.8325 0.4876 0.1118 0.043 Uiso 1 1 calc R . .
C27 C 0.7445(5) 0.1082(10) 0.2421(4) 0.0226(18) Uani 1 1 d . A .
C28 C 0.7361(5) -0.1531(9) 0.2487(4) 0.0197(17) Uani 1 1 d . A .
C1 C 0.6396(6) 0.4680(13) 0.1468(4) 0.040(2) Uani 1 1 d . . .
H55 H 0.6878 0.4806 0.1189 0.049 Uiso 1 1 calc R . .
N1 N 0.6539(4) 0.4637(9) 0.2088(3) 0.0241(15) Uani 1 1 d . . .
N2 N 0.6945(4) 0.4502(7) 0.3278(3) 0.0167(13) Uani 1 1 d . . .
N3 N 0.8613(4) 0.4837(8) 0.3214(3) 0.0184(14) Uani 1 1 d . . .
N4 N 0.8795(4) 0.4990(8) 0.1999(3) 0.0247(16) Uani 1 1 d . . .
N5 N 0.7755(4) 0.2269(8) 0.2434(4) 0.0282(17) Uani 1 1 d . . .
N6 N 0.7019(4) -0.0212(9) 0.2382(4) 0.0322(18) Uani 1 1 d . . .
N7 N 0.7581(4) -0.2780(9) 0.2548(4) 0.0325(18) Uani 1 1 d . . .
P2 P 0.7427(2) 0.9374(5) 0.46074(17) 0.0217(8) Uani 0.711(5) 1 d PU B 1
F1 F 0.6986(5) 0.7889(10) 0.4280(4) 0.0438(10) Uani 0.711(5) 1 d P B 1
F2 F 0.7816(5) 1.0876(10) 0.4936(4) 0.0438(10) Uani 0.711(5) 1 d P B 1
F6 F 0.8349(5) 0.8707(10) 0.4449(4) 0.0438(10) Uani 0.711(5) 1 d P B 1
F3 F 0.7449(10) 0.8539(13) 0.5281(7) 0.0438(10) Uani 0.711(5) 1 d P B 1
F4 F 0.6426(7) 1.0032(12) 0.4758(4) 0.0438(10) Uani 0.711(5) 1 d P B 1
F5 F 0.7385(6) 1.0284(11) 0.3930(4) 0.0438(10) Uani 0.711(5) 1 d P B 1
F1A F 0.6399(17) 0.961(3) 0.4620(11) 0.0438(10) Uani 0.289(5) 1 d P B 2
F2A F 0.8399(13) 1.049(3) 0.4741(9) 0.0438(10) Uani 0.289(5) 1 d P B 2
F6A F 0.7609(13) 0.857(3) 0.4253(9) 0.0438(10) Uani 0.289(5) 1 d P B 2
F4A F 0.7189(13) 1.150(3) 0.5086(9) 0.0438(10) Uani 0.289(5) 1 d P B 2
P2A P 0.7368(7) 1.0069(13) 0.4671(5) 0.0217(8) Uani 0.289(5) 1 d P B 2
F5A F 0.7328(14) 1.101(3) 0.4030(10) 0.0438(10) Uani 0.289(5) 1 d P B 2
F3A F 0.748(2) 0.891(3) 0.5315(17) 0.0438(10) Uani 0.289(5) 1 d P B 2
Co1 Co 0.77168(6) 0.47299(11) 0.25620(5) 0.0149(3) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C5 N1 1.345(10) . ?
C5 C4 1.378(11) . ?
C5 C6 1.466(10) . ?
C4 C3 1.398(13) . ?
C3 C2 1.358(15) . ?
C2 C1 1.402(14) . ?
C6 N2 1.282(9) . ?
C6 C7 1.491(10) . ?
C7 C12 1.392(12) . ?
C7 C8 1.399(12) . ?
C8 C9 1.400(12) . ?
C9 C10 1.361(18) . ?
C10 C11 1.405(18) . ?
C11 C12 1.396(13) . ?
C13 N2 1.490(15) . ?
C13 C14 1.54(2) . ?
C14 N3 1.480(18) . ?
C13A C14A 1.45(4) . ?
C13A N2 1.49(2) . ?
C14A N3 1.54(3) . ?
C15 N3 1.291(10) . ?
C15 C22 1.476(12) . ?
C15 C16 1.477(11) . ?
C16 C21 1.340(12) . ?
C16 C17 1.420(13) . ?
C17 C18 1.383(12) . ?
C18 C19 1.374(14) . ?
C19 C20 1.365(15) . ?
C20 C21 1.389(12) . ?
C22 N4 1.345(10) . ?
C22 C23 1.403(11) . ?
C23 C24 1.363(13) . ?
C24 C25 1.380(14) . ?
C25 C26 1.410(13) . ?
C26 N4 1.323(11) . ?
C27 N5 1.137(11) . ?
C27 N6 1.304(11) . ?
C28 N7 1.146(11) . ?
C28 N6 1.281(11) . ?
C1 N1 1.307(10) . ?
N1 Co1 2.039(6) . ?
N2 Co1 1.921(6) . ?
N3 Co1 1.916(6) . ?
N4 Co1 2.043(7) . ?
N5 Co1 2.163(7) . ?
N7 Co1 2.181(8) 1_545 ?
P2 F6 1.559(9) . ?
P2 F3 1.581(14) . ?
P2 F2 1.589(10) . ?
P2 F1 1.606(9) . ?
P2 F5 1.620(9) . ?
P2 F4 1.663(11) . ?
F1A P2A 1.53(3) . ?
F2A P2A 1.62(2) . ?
F6A P2A 1.61(2) . ?
F4A P2A 1.55(2) . ?
P2A F5A 1.57(2) . ?
P2A F3A 1.69(4) . ?
Co1 N7 2.181(8) 1_565 ?

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
N1 C5 C4 121.4(7) . . ?
N1 C5 C6 115.1(6) . . ?
C4 C5 C6 123.5(7) . . ?
C5 C4 C3 118.2(8) . . ?
C2 C3 C4 119.5(9) . . ?
C3 C2 C1 119.0(8) . . ?
N2 C6 C5 113.5(6) . . ?
N2 C6 C7 125.6(7) . . ?
C5 C6 C7 120.8(6) . . ?
C12 C7 C8 121.3(8) . . ?
C12 C7 C6 120.3(8) . . ?
C8 C7 C6 118.4(7) . . ?
C7 C8 C9 118.8(10) . . ?
C10 C9 C8 120.8(11) . . ?
C9 C10 C11 120.0(9) . . ?
C12 C11 C10 120.7(10) . . ?
C7 C12 C11 118.3(10) . . ?
N2 C13 C14 106.9(12) . . ?
N3 C14 C13 105.7(13) . . ?
C14A C13A N2 106(2) . . ?
C13A C14A N3 108(2) . . ?
N3 C15 C22 113.1(7) . . ?
N3 C15 C16 125.0(8) . . ?
C22 C15 C16 121.9(7) . . ?
C21 C16 C17 118.7(8) . . ?
C21 C16 C15 122.7(8) . . ?
C17 C16 C15 118.5(8) . . ?
C18 C17 C16 119.2(9) . . ?
C19 C18 C17 120.2(10) . . ?
C20 C19 C18 120.6(9) . . ?
C19 C20 C21 119.1(9) . . ?
C16 C21 C20 122.2(10) . . ?
N4 C22 C23 121.4(8) . . ?
N4 C22 C15 115.0(7) . . ?
C23 C22 C15 123.5(8) . . ?
C24 C23 C22 119.3(9) . . ?
C23 C24 C25 119.9(8) . . ?
C24 C25 C26 117.7(9) . . ?
N4 C26 C25 122.8(9) . . ?
N5 C27 N6 174.2(9) . . ?
N7 C28 N6 171.9(9) . . ?
N1 C1 C2 121.4(9) . . ?
C1 N1 C5 120.5(7) . . ?
C1 N1 Co1 127.6(6) . . ?
C5 N1 Co1 111.9(5) . . ?
C6 N2 C13 126.3(8) . . ?
C6 N2 C13A 123.7(11) . . ?
C13 N2 C13A 25.4(9) . . ?
C6 N2 Co1 119.4(5) . . ?
C13 N2 Co1 113.6(6) . . ?
C13A N2 Co1 114.2(10) . . ?
C15 N3 C14 123.4(9) . . ?
C15 N3 C14A 128.4(12) . . ?
C14 N3 C14A 20.6(9) . . ?
C15 N3 Co1 119.6(6) . . ?
C14 N3 Co1 115.5(8) . . ?
C14A N3 Co1 111.4(11) . . ?
C26 N4 C22 118.9(7) . . ?
C26 N4 Co1 129.1(6) . . ?
C22 N4 Co1 111.8(5) . . ?
C27 N5 Co1 153.4(6) . . ?
C28 N6 C27 124.4(7) . . ?
C28 N7 Co1 167.2(7) . 1_545 ?
F6 P2 F3 90.4(6) . . ?
F6 P2 F2 93.8(5) . . ?
F3 P2 F2 89.6(5) . . ?
F6 P2 F1 89.0(5) . . ?
F3 P2 F1 90.6(5) . . ?
F2 P2 F1 177.2(5) . . ?
F6 P2 F5 91.4(5) . . ?
F3 P2 F5 177.8(6) . . ?
F2 P2 F5 89.0(5) . . ?
F1 P2 F5 90.7(5) . . ?
F6 P2 F4 177.7(6) . . ?
F3 P2 F4 90.0(7) . . ?
F2 P2 F4 88.4(5) . . ?
F1 P2 F4 88.8(5) . . ?
F5 P2 F4 88.3(5) . . ?
F1A P2A F4A 94.3(13) . . ?
F1A P2A F5A 93.0(13) . . ?
F4A P2A F5A 92.8(12) . . ?
F1A P2A F6A 88.6(13) . . ?
F4A P2A F6A 176.9(13) . . ?
F5A P2A F6A 88.3(12) . . ?
F1A P2A F2A 177.5(15) . . ?
F4A P2A F2A 86.9(12) . . ?
F5A P2A F2A 89.2(12) . . ?
F6A P2A F2A 90.2(12) . . ?
F1A P2A F3A 89.1(16) . . ?
F4A P2A F3A 93.2(14) . . ?
F5A P2A F3A 173.5(16) . . ?
F6A P2A F3A 85.7(14) . . ?
F2A P2A F3A 88.6(14) . . ?
N3 Co1 N2 83.9(3) . . ?
N3 Co1 N1 163.8(2) . . ?
N2 Co1 N1 80.1(2) . . ?
N3 Co1 N4 80.2(3) . . ?
N2 Co1 N4 164.1(3) . . ?
N1 Co1 N4 115.9(3) . . ?
N3 Co1 N5 96.6(3) . . ?
N2 Co1 N5 90.6(3) . . ?
N1 Co1 N5 85.7(3) . . ?
N4 Co1 N5 90.9(3) . . ?
N3 Co1 N7 91.6(3) . 1_565 ?
N2 Co1 N7 93.1(3) . 1_565 ?
N1 Co1 N7 87.2(3) . 1_565 ?
N4 Co1 N7 87.6(3) . 1_565 ?
N5 Co1 N7 171.3(3) . 1_565 ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.275
_refine_diff_density_min         -1.000
_refine_diff_density_rms         0.141
