#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:53:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179352 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/49/4324932.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_4324932
loop_
_publ_author_name
'Pradip Pachfule'
'Raja Das'
'Pankaj Poddar'
'Rahul Banerjee'
_publ_contact_author
;
Dr. Rahul Banerjee
Scientist
Physical/Materials Chemistry Division  
National Chemical Laboratory
Dr. Homi Bhaba Road
Pune 411008, India
;
_publ_contact_author_email       r.banerjee@ncl.res.in
_publ_contact_author_fax         '91 020 2590 2636'
_publ_contact_author_phone       '91 020 2590 2535'
_publ_section_title
;
 Structural, Magnetic, and Gas Adsorption Study of a Series of Partially
 Fluorinated Metal-Organic Frameworks (HF-MOFs)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3855
_journal_page_last               3865
_journal_paper_doi               10.1021/ic1017246
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety
'C21 H12 Co F5.96 N O4, 0.5(C8 N4 O2), C3 H8 N O, O'
_chemical_formula_sum            'C28 H20 Co F5.96 N4 O7'
_chemical_formula_weight         696.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.74(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.957(19)
_cell_length_b                   11.025(8)
_cell_length_c                   24.602(15)
_cell_measurement_reflns_used    5402
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.000
_cell_measurement_theta_min      1.86
_cell_volume                     6349(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.1044
_diffrn_reflns_av_sigmaI/netI    0.1245
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28624
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.625
_exptl_absorpt_correction_T_max  0.8787
_exptl_absorpt_correction_T_min  0.7076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst. (1995) A51 33-58'
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.025
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5402
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.1097
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1606P)²+94.8645P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2508
_refine_ls_wR_factor_ref         0.2659
_reflns_number_gt                4980
_reflns_number_total             5402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1017246_si_002_1.cif
_cod_data_source_block           Co-FMOF-D
_cod_original_cell_volume        6349(7)
_cod_database_code               4324932
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_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
C1 C 0.3536(3) 0.3309(6) 0.4272(3) 0.0316(14) Uani 1 1 d . . .
C2 C 0.3628(3) 0.6132(6) 0.1722(3) 0.0274(13) Uani 1 1 d . . .
C3 C 0.3991(4) 0.2586(7) 0.4363(4) 0.047(2) Uani 1 1 d . . .
H3 H 0.4055 0.1855 0.4576 0.057 Uiso 1 1 calc R . .
C4 C 0.3476(3) 0.5023(6) 0.1877(3) 0.0311(14) Uani 1 1 d . . .
H4 H 0.3151 0.4617 0.1581 0.037 Uiso 1 1 calc R . .
C5 C 0.4355(4) 0.2936(9) 0.4140(4) 0.053(2) Uani 1 1 d . D .
H5 H 0.4665 0.2453 0.4215 0.063 Uiso 1 1 calc R . .
C7 C 0.3160(3) 0.2952(6) 0.4536(3) 0.0269(13) Uani 1 1 d . . .
C8 C 0.3250(3) 0.6681(6) 0.1085(3) 0.0311(15) Uani 1 1 d . . .
C9 C 0.4987(5) 0.3456(9) 0.3467(5) 0.058(2) Uiso 1 1 d . . .
C10 C 0.3435(3) 0.4379(6) 0.3936(3) 0.0337(15) Uani 1 1 d . . .
H10 H 0.3124 0.4862 0.3860 0.040 Uiso 1 1 calc R . .
C11 C 0.4297(3) 0.5111(7) 0.2921(3) 0.0338(15) Uani 1 1 d . . .
C12 C 0.3806(3) 0.4526(6) 0.2469(3) 0.0333(15) Uani 1 1 d . E .
H12 H 0.3697 0.3793 0.2566 0.040 Uiso 1 1 calc R . .
C13 C 0.3792(3) 0.4731(7) 0.3715(4) 0.0371(16) Uani 1 1 d . D .
H13 H 0.3726 0.5463 0.3502 0.045 Uiso 1 1 calc R . .
C14 C 0.1893(4) 0.3908(7) -0.0037(4) 0.060(3) Uani 1 1 d D A 5
H14 H 0.1952 0.4188 0.0347 0.072 Uiso 1 1 calc R A 5
C15 C 0.5072(4) 0.5399(12) 0.4082(3) 0.069(4) Uani 1 1 d . . .
C16 C 0.4121(3) 0.6711(7) 0.2174(3) 0.0349(15) Uani 1 1 d . . .
H16 H 0.4229 0.7447 0.2079 0.042 Uiso 1 1 calc R E .
C17 C 0.4250(3) 0.4011(8) 0.3804(3) 0.0386(17) Uani 1 1 d . . .
C18 C 0.4451(3) 0.6206(7) 0.2761(3) 0.0392(17) Uani 1 1 d . E .
H18 H 0.4781 0.6603 0.3053 0.047 Uiso 1 1 calc R . .
C19 C 0.4657(3) 0.4492(8) 0.3569(4) 0.046(2) Uani 1 1 d . D .
C20 C 0.1750(6) 0.2662(10) -0.0211(5) 0.082(3) Uiso 1 1 d D A 5
C21 C 0.1567(7) 0.2334(14) -0.0823(6) 0.045(4) Uiso 0.50 1 d PD A 5
H21 H 0.1500 0.1520 -0.0934 0.054 Uiso 0.50 1 calc PR A 5
C22 C 0.1477(8) 0.3219(13) -0.1297(7) 0.048(4) Uiso 0.50 1 d PD A 5
H22 H 0.1290 0.3029 -0.1721 0.058 Uiso 0.50 1 calc PR A 5
C23 C 0.1688(7) 0.4371(13) -0.1076(6) 0.043(3) Uiso 0.50 1 d PD A 5
H23 H 0.1664 0.4966 -0.1356 0.051 Uiso 0.50 1 calc PR A 5
C24 C 0.1785(8) 0.1740(15) 0.0209(8) 0.053(4) Uiso 0.50 1 d PD A 5
H24A H 0.1704 0.2081 0.0516 0.080 Uiso 0.50 1 calc PR A 5
H24B H 0.2162 0.1399 0.0415 0.080 Uiso 0.50 1 calc PR A 5
H24C H 0.1511 0.1115 -0.0019 0.080 Uiso 0.50 1 calc PR A 5
C25 C 0.307(2) 1.081(3) 0.740(2) 0.29(2) Uiso 1 1 d D B 5
H25A H 0.3320 1.0612 0.7242 0.442 Uiso 1 1 calc R B 5
H25B H 0.3199 1.1534 0.7647 0.442 Uiso 1 1 calc R B 5
H25C H 0.2689 1.0938 0.7055 0.442 Uiso 1 1 calc R B 5
C26 C 0.288(2) 0.863(3) 0.7616(17) 0.248(18) Uiso 1 1 d D B 5
H26A H 0.2527 0.8559 0.7625 0.297 Uiso 1 1 calc R B 5
H26B H 0.3161 0.8140 0.7958 0.297 Uiso 1 1 calc R B 5
C27 C 0.3012(14) 1.021(2) 0.8314(13) 0.175(9) Uiso 1 1 d D B 5
H27A H 0.2785 0.9634 0.8387 0.262 Uiso 1 1 calc R B 5
H27B H 0.2834 1.0996 0.8236 0.262 Uiso 1 1 calc R B 5
H27C H 0.3386 1.0255 0.8677 0.262 Uiso 1 1 calc R B 5
C28 C 0.4550(9) 0.0599(18) 0.6033(10) 0.127(6) Uiso 1 1 d D C 5
C29 C 0.5344(15) 0.075(4) 0.5833(17) 0.247(17) Uiso 1 1 d D C 5
C30 C 0.4400(13) -0.036(3) 0.5131(14) 0.183(10) Uiso 1 1 d D . 5
C33 C 0.4512(19) -0.029(3) 0.6881(18) 0.224(14) Uiso 1 1 d . C 5
Co1 Co 0.22197(3) 0.64108(7) -0.01987(4) 0.0223(4) Uani 1 1 d . . 5
F1 F 0.4821(3) 0.6361(5) 0.4105(3) 0.0705(16) Uiso 1 1 d . D 5
F2 F 0.5531(4) 0.5402(17) 0.3959(5) 0.042(4) Uiso 0.48(4) 1 d P D 1
F3 F 0.5321(4) 0.5026(14) 0.4669(4) 0.045(4) Uiso 0.60(4) 1 d P D 2
F4 F 0.4648(3) 0.2576(5) 0.3127(3) 0.0689(15) Uiso 1 1 d . E .
F5 F 0.5300(4) 0.4035(13) 0.3233(5) 0.038(3) Uiso 0.54(3) 1 d P E 3
F6 F 0.5428(4) 0.3154(12) 0.4072(5) 0.036(3) Uiso 0.52(3) 1 d P E 4
F2A F 0.5491(4) 0.5924(15) 0.4003(4) 0.036(4) Uiso 0.49(3) 1 d P D 1
F5A F 0.5193(6) 0.3582(15) 0.3084(6) 0.040(4) Uiso 0.46(3) 1 d P E 3
F6A F 0.5321(5) 0.2678(14) 0.3914(6) 0.041(4) Uiso 0.48(3) 1 d P E 4
F2B F 0.5329(5) 0.4502(19) 0.4599(6) 0.038(5) Uiso 0.39(3) 1 d P D 1
N1 N 0.1939(3) 0.4658(5) -0.0433(3) 0.0368(14) Uani 1 1 d D A 5
N2 N 0.3060(14) 0.984(3) 0.7775(13) 0.200(9) Uiso 1 1 d D . .
N3 N 0.4797(12) 0.030(2) 0.5667(11) 0.186(8) Uiso 1 1 d D . .
N4 N 0.4864(12) 0.026(2) 0.6623(12) 0.177(8) Uiso 1 1 d . . .
O1 O 0.2874(2) 0.6001(5) 0.0683(2) 0.0430(13) Uani 1 1 d . . .
O2 O 0.3345(2) 0.7771(5) 0.1015(2) 0.0414(12) Uani 1 1 d . . .
O3 O 0.2779(2) 0.3702(4) 0.4470(3) 0.0365(12) Uani 1 1 d . . .
O4 O 0.3247(2) 0.1930(4) 0.4800(2) 0.0360(11) Uani 1 1 d . . .
O5 O 0.2788(15) 0.806(3) 0.7060(15) 0.284(12) Uiso 1 1 d D . .
O6 O 0.5456(12) 0.049(2) 0.5341(13) 0.222(9) Uiso 1 1 d D . .
O7 O 0.439(2) 0.014(3) 0.7596(19) 0.350(18) Uiso 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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C3 C1 C10 118.8(6) . .
C3 C1 C7 120.8(6) . .
C10 C1 C7 120.4(6) . .
C16 C2 C4 118.4(6) . .
C16 C2 C8 121.9(6) . .
C4 C2 C8 119.7(6) . .
C1 C3 C5 121.1(7) . .
C1 C3 H3 119.4 . .
C5 C3 H3 119.4 . .
C12 C4 C2 120.5(6) . .
C12 C4 H4 119.7 . .
C2 C4 H4 119.7 . .
C17 C5 C3 119.6(7) . .
C17 C5 H5 120.2 . .
C3 C5 H5 120.2 . .
O4 C7 O3 125.5(6) . .
O4 C7 C1 117.6(6) . .
O3 C7 C1 116.8(6) . .
O1 C8 O2 127.1(6) . .
O1 C8 C2 116.3(6) . .
O2 C8 C2 116.6(6) . .
F4 C9 F5A 91.7(11) . .
F4 C9 F6A 91.3(10) . .
F5A C9 F6A 107.7(10) . .
F4 C9 F5 116.7(10) . .
F5A C9 F5 25.5(5) . .
F6A C9 F5 109.6(10) . .
F4 C9 F6 117.1(9) . .
F5A C9 F6 110.2(10) . .
F6A C9 F6 26.4(5) . .
F5 C9 F6 100.2(9) . .
F4 C9 C19 112.1(9) . .
F5A C9 C19 121.4(10) . .
F6A C9 C19 123.4(10) . .
F5 C9 C19 104.2(8) . .
F6 C9 C19 104.8(8) . .
C13 C10 C1 120.4(7) . .
C13 C10 H10 119.8 . .
C1 C10 H10 119.8 . .
C18 C11 C12 118.3(6) . .
C18 C11 C19 123.2(7) . .
C12 C11 C19 118.5(6) . .
C4 C12 C11 121.0(6) . .
C4 C12 H12 119.5 . .
C11 C12 H12 119.5 . .
C10 C13 C17 121.1(7) . .
C10 C13 H13 119.4 . .
C17 C13 H13 119.4 . .
N1 C14 C20 119.1(9) . .
N1 C14 H14 120.5 . .
C20 C14 H14 120.5 . .
F1 C15 F3 101.8(11) . .
F1 C15 F2A 98.5(11) . .
F3 C15 F2A 106.3(8) . .
F1 C15 F2 123.2(11) . .
F3 C15 F2 102.2(8) . .
F2A C15 F2 25.1(5) . .
F1 C15 F2B 123.5(10) . .
F3 C15 F2B 24.2(5) . .
F2A C15 F2B 109.6(9) . .
F2 C15 F2B 95.6(10) . .
F1 C15 C19 112.7(7) . .
F3 C15 C19 117.2(10) . .
F2A C15 C19 117.8(9) . .
F2 C15 C19 100.4(10) . .
F2B C15 C19 96.2(10) . .
C18 C16 C2 120.9(6) . .
C18 C16 H16 119.6 . .
C2 C16 H16 119.6 . .
C5 C17 C13 118.9(6) . .
C5 C17 C19 122.4(6) . .
C13 C17 C19 118.5(6) . .
C16 C18 C11 121.0(7) . .
C16 C18 H18 119.5 . .
C11 C18 H18 119.5 . .
C9 C19 C11 105.9(7) . .
C9 C19 C17 112.1(7) . .
C11 C19 C17 109.5(6) . .
C9 C19 C15 111.5(8) . .
C11 C19 C15 112.3(7) . .
C17 C19 C15 105.6(6) . .
C21 C20 C24 117.8(12) . .
C21 C20 C14 118.3(11) . .
C24 C20 C14 123.9(11) . .
C20 C21 C22 122.0(13) . .
C20 C21 H21 119.0 . .
C22 C21 H21 119.0 . .
C23 C22 C21 115.4(14) . .
C23 C22 H22 122.3 . .
C21 C22 H22 122.3 . .
C22 C23 N1 121.3(12) . .
C22 C23 H23 119.4 . .
N1 C23 H23 119.4 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N2 C25 H25A 109.5 . .
N2 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
N2 C25 H25C 109.4 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N2 C26 O5 124(3) . .
N2 C26 H26A 106.2 . .
O5 C26 H26A 106.2 . .
N2 C26 H26B 106.2 . .
O5 C26 H26B 106.2 . .
H26A C26 H26B 106.4 . .
N2 C27 H27A 109.5 . .
N2 C27 H27B 109.5 . .
N2 C27 H27C 109.5 . .
N4 C28 N3 113(2) . .
N3 C29 O6 108(3) . .
O6 C30 N3 115(3) 5_656 .
O4 Co1 O2 90.8(2) 4 7_565
O4 Co1 O3 165.89(19) 4 6_565
O2 Co1 O3 88.3(2) 7_565 6_565
O4 Co1 N1 99.9(2) 4 .
O2 Co1 N1 98.6(2) 7_565 .
O3 Co1 N1 94.2(2) 6_565 .
O4 Co1 O1 88.0(2) 4 .
O2 Co1 O1 166.0(2) 7_565 .
O3 Co1 O1 89.5(2) 6_565 .
N1 Co1 O1 95.4(3) . .
O4 Co1 Co1 86.83(15) 4 7_565
O2 Co1 Co1 88.48(17) 7_565 7_565
O3 Co1 Co1 79.07(14) 6_565 7_565
N1 Co1 Co1 170.10(18) . 7_565
O1 Co1 Co1 77.50(17) . 7_565
C14 N1 C23 120.9(8) . .
C14 N1 Co1 122.4(6) . .
C23 N1 Co1 115.5(7) . .
C26 N2 C25 130(3) . .
C26 N2 C27 111(3) . .
C25 N2 C27 115(3) . .
C28 N3 C29 120(3) . .
C28 N3 C30 110(3) . .
C29 N3 C30 130(2) . .
C28 N4 C33 113(3) . .
C8 O1 Co1 129.5(5) . .
C8 O2 Co1 117.1(5) . 7_565
C7 O3 Co1 128.4(4) . 6_566
C7 O4 Co1 120.0(4) . 4_545
C30 O6 C29 173(3) 5_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C3 1.385(10) .
C1 C10 1.388(10) .
C1 C7 1.502(9) .
C2 C16 1.394(10) .
C2 C4 1.401(9) .
C2 C8 1.510(9) .
C3 C5 1.395(11) .
C3 H3 0.9300 .
C4 C12 1.388(10) .
C4 H4 0.9300 .
C5 C17 1.391(11) .
C5 H5 0.9300 .
C7 O4 1.263(8) .
C7 O3 1.264(8) .
C8 O1 1.254(9) .
C8 O2 1.257(9) .
C9 F4 1.310(11) .
C9 F5A 1.317(15) .
C9 F6A 1.332(14) .
C9 F5 1.392(14) .
C9 F6 1.410(14) .
C9 C19 1.542(13) .
C10 C13 1.376(10) .
C10 H10 0.9300 .
C11 C18 1.396(10) .
C11 C12 1.395(10) .
C11 C19 1.554(9) .
C12 H12 0.9300 .
C13 C17 1.390(10) .
C13 H13 0.9300 .
C14 N1 1.330(10) .
C14 C20 1.433(12) .
C14 H14 0.9300 .
C15 F1 1.273(14) .
C15 F3 1.321(11) .
C15 F2A 1.367(12) .
C15 F2 1.414(14) .
C15 F2B 1.483(17) .
C15 C19 1.564(14) .
C16 C18 1.383(10) .
C16 H16 0.9300 .
C17 C19 1.565(9) .
C18 H18 0.9300 .
C20 C21 1.379(12) .
C20 C24 1.420(15) .
C21 C22 1.445(15) .
C21 H21 0.9300 .
C22 C23 1.388(15) .
C22 H22 0.9300 .
C23 N1 1.413(13) .
C23 H23 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 N2 1.42(5) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 N2 1.41(5) .
C26 O5 1.41(5) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 N2 1.45(5) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 N4 1.32(3) .
C28 N3 1.40(4) .
C29 N3 1.41(6) .
C29 O6 1.42(5) .
C30 O6 1.40(3) 5_656
C30 N3 1.42(4) .
C33 N4 1.51(4) .
Co1 O4 2.024(5) 4
Co1 O2 2.033(5) 7_565
Co1 O3 2.044(5) 6_565
Co1 N1 2.051(6) .
Co1 O1 2.056(5) .
Co1 Co1 2.746(2) 7_565
O2 Co1 2.033(5) 7_565
O3 Co1 2.044(5) 6_566
O4 Co1 2.024(5) 4_545
O6 C30 1.40(3) 5_656
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_4
C10 C1 C3 C5 2.0(14) . .
C7 C1 C3 C5 -177.4(8) . .
C16 C2 C4 C12 0.8(10) . .
C8 C2 C4 C12 -177.6(6) . .
C1 C3 C5 C17 -1.9(15) . .
C3 C1 C7 O4 -5.4(11) . .
C10 C1 C7 O4 175.2(7) . .
C3 C1 C7 O3 175.2(7) . .
C10 C1 C7 O3 -4.2(10) . .
C16 C2 C8 O1 168.7(6) . .
C4 C2 C8 O1 -13.1(9) . .
C16 C2 C8 O2 -11.8(10) . .
C4 C2 C8 O2 166.5(6) . .
C3 C1 C10 C13 -2.0(12) . .
C7 C1 C10 C13 177.4(7) . .
C2 C4 C12 C11 -0.5(11) . .
C18 C11 C12 C4 -0.4(11) . .
C19 C11 C12 C4 -178.5(6) . .
C1 C10 C13 C17 2.0(12) . .
C4 C2 C16 C18 -0.1(11) . .
C8 C2 C16 C18 178.2(7) . .
C3 C5 C17 C13 1.9(14) . .
C3 C5 C17 C19 176.9(9) . .
C10 C13 C17 C5 -1.9(13) . .
C10 C13 C17 C19 -177.2(7) . .
C2 C16 C18 C11 -0.8(12) . .
C12 C11 C18 C16 1.1(11) . .
C19 C11 C18 C16 179.0(7) . .
F4 C9 C19 C11 -69.2(9) . .
F5A C9 C19 C11 37.3(14) . .
F6A C9 C19 C11 -176.5(11) . .
F5 C9 C19 C11 57.9(10) . .
F6 C9 C19 C11 162.8(8) . .
F4 C9 C19 C17 50.1(10) . .
F5A C9 C19 C17 156.7(12) . .
F6A C9 C19 C17 -57.2(14) . .
F5 C9 C19 C17 177.3(8) . .
F6 C9 C19 C17 -77.9(10) . .
F4 C9 C19 C15 168.3(7) . .
F5A C9 C19 C15 -85.1(13) . .
F6A C9 C19 C15 61.0(13) . .
F5 C9 C19 C15 -64.6(10) . .
F6 C9 C19 C15 40.3(10) . .
C18 C11 C19 C9 -102.0(9) . .
C12 C11 C19 C9 75.9(8) . .
C18 C11 C19 C17 136.9(8) . .
C12 C11 C19 C17 -45.2(10) . .
C18 C11 C19 C15 19.9(10) . .
C12 C11 C19 C15 -162.2(7) . .
C5 C17 C19 C9 26.8(12) . .
C13 C17 C19 C9 -158.2(8) . .
C5 C17 C19 C11 144.0(9) . .
C13 C17 C19 C11 -40.9(11) . .
C5 C17 C19 C15 -94.8(11) . .
C13 C17 C19 C15 80.2(9) . .
F1 C15 C19 C9 169.3(7) . .
F3 C15 C19 C9 -73.1(11) . .
F2A C15 C19 C9 55.7(13) . .
F2 C15 C19 C9 36.5(10) . .
F2B C15 C19 C9 -60.4(9) . .
F1 C15 C19 C11 50.5(8) . .
F3 C15 C19 C11 168.2(9) . .
F2A C15 C19 C11 -63.1(13) . .
F2 C15 C19 C11 -82.3(10) . .
F2B C15 C19 C11 -179.1(8) . .
F1 C15 C19 C17 -68.8(8) . .
F3 C15 C19 C17 48.9(12) . .
F2A C15 C19 C17 177.6(10) . .
F2 C15 C19 C17 158.4(8) . .
F2B C15 C19 C17 61.6(9) . .
N1 C14 C20 C21 -11.4(18) . .
N1 C14 C20 C24 168.8(13) . .
C24 C20 C21 C22 175.3(16) . .
C14 C20 C21 C22 -5(2) . .
C20 C21 C22 C23 12(2) . .
C21 C22 C23 N1 -4(2) . .
C20 C14 N1 C23 19.6(15) . .
C20 C14 N1 Co1 -173.7(8) . .
C22 C23 N1 C14 -11.9(19) . .
C22 C23 N1 Co1 -179.5(12) . .
O4 Co1 N1 C14 -46.0(7) 4 .
O2 Co1 N1 C14 -138.3(7) 7_565 .
O3 Co1 N1 C14 132.8(7) 6_565 .
O1 Co1 N1 C14 42.9(7) . .
Co1 Co1 N1 C14 86.3(12) 7_565 .
O4 Co1 N1 C23 121.4(8) 4 .
O2 Co1 N1 C23 29.1(8) 7_565 .
O3 Co1 N1 C23 -59.8(8) 6_565 .
O1 Co1 N1 C23 -149.7(8) . .
Co1 Co1 N1 C23 -106.2(13) 7_565 .
O5 C26 N2 C25 15(8) . .
O5 C26 N2 C27 169(4) . .
N4 C28 N3 C29 -59(4) . .
N4 C28 N3 C30 127(3) . .
O6 C29 N3 C28 -171(2) . .
O6 C29 N3 C30 3(5) . .
O6 C30 N3 C28 167(2) 5_656 .
O6 C30 N3 C29 -7(5) 5_656 .
N3 C28 N4 C33 -137(2) . .
O2 C8 O1 Co1 -7.1(11) . .
C2 C8 O1 Co1 172.5(4) . .
O4 Co1 O1 C8 -84.4(6) 4 .
O2 Co1 O1 C8 0.7(13) 7_565 .
O3 Co1 O1 C8 81.7(6) 6_565 .
N1 Co1 O1 C8 175.8(6) . .
Co1 Co1 O1 C8 2.8(6) 7_565 .
O1 C8 O2 Co1 7.0(9) . 7_565
C2 C8 O2 Co1 -172.5(4) . 7_565
O4 C7 O3 Co1 4.3(10) . 6_566
C1 C7 O3 Co1 -176.4(5) . 6_566
O3 C7 O4 Co1 -3.2(9) . 4_545
C1 C7 O4 Co1 177.5(5) . 4_545
N3 C29 O6 C30 143(25) . 5_656
