#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:26:50 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179896 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/92/7019285.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_7019285
loop_
_publ_author_name
'Turov, Yevgeniya'
'Berry, John F.'
_publ_section_title
;
 Synthesis, characterization and thermal properties of trimetallic
 N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M
 = Cr, Mn, Fe, and Co.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8153
_journal_page_last               8161
_journal_paper_doi               10.1039/c2dt30150d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C44 H38 Co Cr2 N14, 2(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C48 H44 Co Cr2 F12 N16 P2'
_chemical_formula_weight         1297.82
_chemical_name_common            (Cr2Co(dpa)4(MeCN)2)(MeCN)2(PF6)2
_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                 125.3370(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.7912(10)
_cell_length_b                   10.0388(4)
_cell_length_c                   22.7492(8)
_cell_measurement_reflns_used    9734
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.5708
_cell_measurement_theta_min      2.1948
_cell_volume                     5177.5(3)
_computing_cell_refinement       'SAINT Ver. 7.24A (Bruker-AXS, 2007)'
_computing_data_collection       'APEX2 Ver. 2.1-4 (Bruker-AXS, 2009)'
_computing_data_reduction        'SAINT Ver. 7.24A'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXTL, OLEX2 (Dolomanov et al., 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '0.60° ω and 0.6° φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_source         'micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0126
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            71734
_diffrn_reflns_theta_full        30.61
_diffrn_reflns_theta_max         30.61
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.888
_exptl_absorpt_correction_T_max  0.8084
_exptl_absorpt_correction_T_min  0.7764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker-AXS, 2007)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2628
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.864
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         7932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.864
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0489
_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)+(0.0823P)²+43.9356P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1516
_reflns_number_gt                7560
_reflns_number_total             7932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30150d.txt
_cod_data_source_block           compound9(100K)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7019285
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_group
Co1 Co 0.420564(14) 0.43092(3) 0.252399(17) 0.01370(9) Uani 0.50 1 d P .
Cr1 Cr 0.420564(14) 0.43092(3) 0.252399(17) 0.01370(9) Uani 0.50 1 d P .
Cr2 Cr 0.50866(5) 0.43190(6) 0.25100(10) 0.0114(2) Uani 0.50 1 d P 1
P1 P 0.64951(3) 0.91272(6) 0.58721(3) 0.01901(13) Uani 1 1 d . .
F1 F 0.71876(7) 0.8831(2) 0.62987(10) 0.0348(4) Uani 1 1 d . .
F2 F 0.66365(10) 1.06932(17) 0.60159(11) 0.0354(4) Uani 1 1 d . .
F3 F 0.63661(7) 0.75650(16) 0.57385(9) 0.0251(3) Uani 1 1 d . .
F4 F 0.58127(8) 0.9431(2) 0.54505(12) 0.0394(5) Uani 1 1 d . .
F5 F 0.64487(9) 0.92586(18) 0.51360(9) 0.0319(4) Uani 1 1 d . .
F6 F 0.65533(9) 0.89972(19) 0.66141(10) 0.0336(4) Uani 1 1 d . .
N1 N 0.44337(9) 0.6139(2) 0.29760(10) 0.0168(3) Uani 1 1 d . .
N2 N 0.53633(10) 0.5711(2) 0.32718(12) 0.0213(4) Uani 1 1 d . .
N3 N 0.62560(9) 0.5168(2) 0.34758(11) 0.0171(4) Uani 1 1 d . .
N4 N 0.47201(8) 0.3538(2) 0.35339(10) 0.0156(3) Uani 1 1 d . .
N5 N 0.53662(9) 0.2914(2) 0.32625(11) 0.0191(4) Uani 1 1 d . .
N6 N 0.40244(9) 0.2436(2) 0.20881(10) 0.0169(4) Uani 1 1 d . .
N7 N 0.34064(11) 0.4206(2) 0.25428(12) 0.0229(4) Uani 1 1 d . .
N8 N 0.6925(2) 0.3879(4) 0.6308(2) 0.0627(11) Uani 1 1 d . .
C1 C 0.40366(11) 0.6937(2) 0.29667(13) 0.0205(4) Uani 1 1 d . .
H1 H 0.3640 0.6640 0.2713 0.025 Uiso 1 1 calc R .
C2 C 0.41790(12) 0.8156(3) 0.33060(14) 0.0221(5) Uani 1 1 d . .
H2 H 0.3889 0.8682 0.3293 0.027 Uiso 1 1 calc R .
C3 C 0.47571(12) 0.8593(3) 0.36671(15) 0.0259(5) Uani 1 1 d . .
H3 H 0.4869 0.9431 0.3905 0.031 Uiso 1 1 calc R .
C4 C 0.51686(12) 0.7804(3) 0.36789(15) 0.0263(5) Uani 1 1 d . .
H4 H 0.5565 0.8101 0.3923 0.032 Uiso 1 1 calc R .
C5 C 0.50029(11) 0.6557(2) 0.33297(13) 0.0196(4) Uani 1 1 d . .
C6 C 0.59650(11) 0.5729(2) 0.37375(14) 0.0204(4) Uani 1 1 d . .
C7 C 0.62894(12) 0.6186(3) 0.44558(15) 0.0244(5) Uani 1 1 d . .
H7 H 0.6088 0.6483 0.4656 0.029 Uiso 1 1 calc R .
C8 C 0.68944(12) 0.6204(3) 0.48667(14) 0.0238(5) Uani 1 1 d . .
H8 H 0.7112 0.6542 0.5345 0.029 Uiso 1 1 calc R .
C9 C 0.71867(12) 0.5723(3) 0.45787(15) 0.0259(5) Uani 1 1 d . .
H9 H 0.7604 0.5762 0.4845 0.031 Uiso 1 1 calc R .
C10 C 0.68527(11) 0.5188(3) 0.38966(13) 0.0211(4) Uani 1 1 d . .
H10 H 0.7052 0.4812 0.3710 0.025 Uiso 1 1 calc R .
C11 C 0.45838(11) 0.3713(3) 0.40101(13) 0.0209(4) Uani 1 1 d . .
H11 H 0.4230 0.4171 0.3854 0.025 Uiso 1 1 calc R .
C12 C 0.49318(12) 0.3262(3) 0.47100(14) 0.0239(5) Uani 1 1 d . .
H12 H 0.4819 0.3398 0.5028 0.029 Uiso 1 1 calc R .
C13 C 0.54496(13) 0.2605(3) 0.49370(15) 0.0313(6) Uani 1 1 d . .
H13 H 0.5698 0.2276 0.5416 0.038 Uiso 1 1 calc R .
C14 C 0.56022(13) 0.2432(4) 0.44651(16) 0.0337(7) Uani 1 1 d . .
H14 H 0.5958 0.1985 0.4618 0.040 Uiso 1 1 calc R .
C15 C 0.52331(11) 0.2913(3) 0.37579(13) 0.0204(4) Uani 1 1 d . .
C16 C 0.57437(10) 0.2026(3) 0.32721(13) 0.0206(4) Uani 1 1 d . .
C17 C 0.58712(15) 0.0741(3) 0.35756(19) 0.0340(7) Uani 1 1 d . .
H17 H 0.5707 0.0457 0.3823 0.041 Uiso 1 1 calc R .
C18 C 0.62288(13) -0.0103(3) 0.35174(17) 0.0302(6) Uani 1 1 d . .
H18 H 0.6322 -0.0961 0.3733 0.036 Uiso 1 1 calc R .
C19 C 0.64548(12) 0.0314(3) 0.31372(16) 0.0258(5) Uani 1 1 d . .
H19 H 0.6704 -0.0252 0.3088 0.031 Uiso 1 1 calc R .
C20 C 0.63080(12) 0.1565(3) 0.28353(15) 0.0229(5) Uani 1 1 d . .
H20 H 0.6447 0.1834 0.2558 0.027 Uiso 1 1 calc R .
C21 C 0.30296(11) 0.3996(3) 0.25953(13) 0.0207(4) Uani 1 1 d . .
C22 C 0.25481(12) 0.3683(3) 0.26574(15) 0.0271(5) Uani 1 1 d . .
H22A H 0.2329 0.2911 0.2355 0.041 Uiso 1 1 calc R .
H22B H 0.2282 0.4450 0.2499 0.041 Uiso 1 1 calc R .
H22C H 0.2709 0.3478 0.3161 0.041 Uiso 1 1 calc R .
C23 C 0.7033(2) 0.3406(4) 0.5944(2) 0.0472(9) Uani 1 1 d . .
C24 C 0.7168(2) 0.2801(4) 0.5473(2) 0.0504(9) Uani 1 1 d . .
H24A H 0.6927 0.3220 0.4996 0.076 Uiso 1 1 calc R .
H24B H 0.7081 0.1845 0.5427 0.076 Uiso 1 1 calc R .
H24C H 0.7587 0.2930 0.5678 0.076 Uiso 1 1 calc R .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cr Cr 0.3209 0.6236 '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'
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
Cr2 Co1 N1 89.39(6) 2_655 .
Cr2 Co1 N4 88.91(7) 2_655 .
N1 Co1 N4 87.85(8) . .
Cr2 Co1 N3 87.34(7) 2_655 2_655
N1 Co1 N3 89.61(8) . 2_655
N4 Co1 N3 175.50(8) . 2_655
Cr2 Co1 N6 87.60(6) 2_655 .
N1 Co1 N6 176.69(8) . .
N4 Co1 N6 90.73(8) . .
N3 Co1 N6 91.61(8) 2_655 .
Cr2 Co1 N7 177.46(7) 2_655 .
N1 Co1 N7 93.15(8) . .
N4 Co1 N7 91.02(8) . .
N3 Co1 N7 92.83(8) 2_655 .
N6 Co1 N7 89.86(8) . .
Cr2 Co1 Cr2 1.20(9) 2_655 .
N1 Co1 Cr2 88.94(6) . .
N4 Co1 Cr2 87.79(7) . .
N3 Co1 Cr2 88.45(7) 2_655 .
N6 Co1 Cr2 88.02(6) . .
N7 Co1 Cr2 177.56(6) . .
Cr2 Cr2 N5 87.2(3) 2_655 .
Cr2 Cr2 N2 86.6(3) 2_655 .
N5 Cr2 N2 89.23(12) . .
Cr2 Cr2 Cr1 173.5(5) 2_655 2_655
N5 Cr2 Cr1 97.19(7) . 2_655
N2 Cr2 Cr1 98.17(8) . 2_655
Cr2 Cr2 Co1 173.5(5) 2_655 2_655
N5 Cr2 Co1 97.19(7) . 2_655
N2 Cr2 Co1 98.17(8) . 2_655
Cr1 Cr2 Co1 0.00(3) 2_655 2_655
Cr2 Cr2 N5 79.8(3) 2_655 2_655
N5 Cr2 N5 89.46(13) . 2_655
N2 Cr2 N5 166.44(9) . 2_655
Cr1 Cr2 N5 95.38(7) 2_655 2_655
Co1 Cr2 N5 95.38(7) 2_655 2_655
Cr2 Cr2 N2 80.4(3) 2_655 2_655
N5 Cr2 N2 167.52(9) . 2_655
N2 Cr2 N2 90.65(14) . 2_655
Cr1 Cr2 N2 95.17(8) 2_655 2_655
Co1 Cr2 N2 95.17(8) 2_655 2_655
N5 Cr2 N2 87.72(12) 2_655 2_655
Cr2 Cr2 Co1 5.3(4) 2_655 .
N5 Cr2 Co1 83.28(7) . .
N2 Cr2 Co1 83.03(7) . .
Cr1 Cr2 Co1 178.70(9) 2_655 .
Co1 Cr2 Co1 178.70(9) 2_655 .
N5 Cr2 Co1 83.41(6) 2_655 .
N2 Cr2 Co1 84.32(7) 2_655 .
F4 P1 F3 90.88(10) . .
F4 P1 F1 179.56(12) . .
F3 P1 F1 89.54(10) . .
F4 P1 F6 90.53(12) . .
F3 P1 F6 89.72(9) . .
F1 P1 F6 89.59(11) . .
F4 P1 F2 90.06(12) . .
F3 P1 F2 179.04(13) . .
F1 P1 F2 89.52(12) . .
F6 P1 F2 90.07(10) . .
F4 P1 F5 90.39(11) . .
F3 P1 F5 90.49(9) . .
F1 P1 F5 89.48(10) . .
F6 P1 F5 179.05(11) . .
F2 P1 F5 89.70(10) . .
C1 N1 C5 119.0(2) . .
C1 N1 Co1 121.14(17) . .
C5 N1 Co1 119.76(16) . .
C6 N2 C5 123.3(2) . .
C6 N2 Cr2 111.44(16) . .
C5 N2 Cr2 125.26(18) . .
C6 N2 Cr2 123.12(16) . 2_655
C5 N2 Cr2 113.32(17) . 2_655
C10 N3 C6 118.4(2) . .
C10 N3 Cr1 121.13(16) . 2_655
C6 N3 Cr1 120.48(16) . 2_655
C10 N3 Co1 121.13(16) . 2_655
C6 N3 Co1 120.48(16) . 2_655
C11 N4 C15 118.7(2) . .
C11 N4 Co1 121.17(16) . .
C15 N4 Co1 120.01(15) . .
C16 N5 C15 123.6(2) . .
C16 N5 Cr2 112.89(15) . .
C15 N5 Cr2 123.25(16) . .
C16 N5 Cr2 123.63(16) . 2_655
C15 N5 Cr2 112.69(16) . 2_655
C20 N6 C16 118.5(2) 2_655 2_655
C20 N6 Co1 121.68(16) 2_655 .
C16 N6 Co1 119.82(16) 2_655 .
C21 N7 Co1 171.0(2) . .
N1 C1 C2 123.3(2) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C1 C2 C3 118.2(2) . .
C1 C2 H2 120.9 . .
C3 C2 H2 120.9 . .
C4 C3 C2 119.6(2) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 120.2(2) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N1 C5 N2 114.5(2) . .
N1 C5 C4 119.7(2) . .
N2 C5 C4 125.7(2) . .
N2 C6 N3 114.9(2) . .
N2 C6 C7 125.3(2) . .
N3 C6 C7 119.6(2) . .
C8 C7 C6 120.2(2) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C7 C8 C9 119.6(2) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 118.0(2) . .
C10 C9 H9 121.0 . .
C8 C9 H9 121.0 . .
N3 C10 C9 123.8(2) . .
N3 C10 H10 118.1 . .
C9 C10 H10 118.1 . .
N4 C11 C12 123.4(2) . .
N4 C11 H11 118.3 . .
C12 C11 H11 118.3 . .
C11 C12 C13 118.2(2) . .
C11 C12 H12 120.9 . .
C13 C12 H12 120.9 . .
C14 C13 C12 119.5(2) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C13 C14 C15 120.1(2) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
N4 C15 N5 114.4(2) . .
N4 C15 C14 120.2(2) . .
N5 C15 C14 125.2(2) . .
N6 C16 N5 114.7(2) 2_655 .
N6 C16 C17 119.8(2) 2_655 .
N5 C16 C17 125.3(2) . .
C18 C17 C16 120.7(3) . .
C18 C17 H17 119.7 . .
C16 C17 H17 119.7 . .
C17 C18 C19 119.1(3) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
C20 C19 C18 118.3(2) . .
C20 C19 H19 120.9 . .
C18 C19 H19 120.9 . .
N6 C20 C19 123.5(2) 2_655 .
N6 C20 H20 118.2 2_655 .
C19 C20 H20 118.2 . .
N7 C21 C22 178.2(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N8 C23 C24 179.5(6) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 Cr2 2.0127(7) 2_655
Co1 N1 2.020(2) .
Co1 N4 2.0302(19) .
Co1 N3 2.046(2) 2_655
Co1 N6 2.049(2) .
Co1 N7 2.249(2) .
Co1 Cr2 2.4668(8) .
Cr2 Cr2 0.4564(13) 2_655
Cr2 N5 1.996(2) .
Cr2 N2 2.002(2) .
Cr2 Cr1 2.0127(7) 2_655
Cr2 Co1 2.0127(7) 2_655
Cr2 N5 2.025(2) 2_655
Cr2 N2 2.027(2) 2_655
P1 F4 1.583(2) .
P1 F3 1.5982(17) .
P1 F1 1.6042(18) .
P1 F6 1.6054(17) .
P1 F2 1.6075(18) .
P1 F5 1.6086(17) .
N1 C1 1.354(3) .
N1 C5 1.361(3) .
N2 C6 1.367(3) .
N2 C5 1.376(3) .
N2 Cr2 2.027(2) 2_655
N3 C10 1.353(3) .
N3 C6 1.373(3) .
N3 Cr1 2.046(2) 2_655
N3 Co1 2.046(2) 2_655
N4 C11 1.350(3) .
N4 C15 1.359(3) .
N5 C16 1.368(3) .
N5 C15 1.374(3) .
N5 Cr2 2.025(2) 2_655
N6 C20 1.354(3) 2_655
N6 C16 1.366(3) 2_655
N7 C21 1.140(3) .
N8 C23 1.135(6) .
C1 C2 1.377(3) .
C1 H1 0.9500 .
C2 C3 1.387(4) .
C2 H2 0.9500 .
C3 C4 1.379(4) .
C3 H3 0.9500 .
C4 C5 1.410(3) .
C4 H4 0.9500 .
C6 C7 1.410(4) .
C7 C8 1.372(4) .
C7 H7 0.9500 .
C8 C9 1.392(4) .
C8 H8 0.9500 .
C9 C10 1.375(4) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.376(3) .
C11 H11 0.9500 .
C12 C13 1.383(4) .
C12 H12 0.9500 .
C13 C14 1.374(4) .
C13 H13 0.9500 .
C14 C15 1.402(3) .
C14 H14 0.9500 .
C16 N6 1.366(3) 2_655
C16 C17 1.408(4) .
C17 C18 1.370(4) .
C17 H17 0.9500 .
C18 C19 1.395(4) .
C18 H18 0.9500 .
C19 C20 1.376(4) .
C19 H19 0.9500 .
C20 N6 1.354(3) 2_655
C20 H20 0.9500 .
C21 C22 1.459(4) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.458(6) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
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
N1 Co1 Cr2 N5 110.75(9) . .
N4 Co1 Cr2 N5 22.87(9) . .
N3 Co1 Cr2 N5 -159.61(9) 2_655 .
N6 Co1 Cr2 N5 -67.94(9) . .
Cr2 Co1 Cr2 N2 132.8(3) 2_655 .
N1 Co1 Cr2 N2 20.71(10) . .
N4 Co1 Cr2 N2 -67.18(10) . .
N3 Co1 Cr2 N2 110.34(10) 2_655 .
N6 Co1 Cr2 N2 -157.99(10) . .
Cr2 Co1 Cr2 N5 -46.9(3) 2_655 2_655
N1 Co1 Cr2 N5 -159.01(9) . 2_655
N4 Co1 Cr2 N5 113.10(9) . 2_655
N3 Co1 Cr2 N5 -69.37(9) 2_655 2_655
N6 Co1 Cr2 N5 22.29(9) . 2_655
Cr2 Co1 Cr2 N2 41.4(3) 2_655 2_655
N1 Co1 Cr2 N2 -70.65(9) . 2_655
N4 Co1 Cr2 N2 -158.54(10) . 2_655
N3 Co1 Cr2 N2 18.98(10) 2_655 2_655
N6 Co1 Cr2 N2 110.65(9) . 2_655
Cr2 Co1 N1 C1 160.76(18) 2_655 .
N4 Co1 N1 C1 -110.30(19) . .
N3 Co1 N1 C1 73.41(18) 2_655 .
N7 Co1 N1 C1 -19.40(19) . .
Cr2 Co1 N1 C1 161.87(18) . .
Cr2 Co1 N1 C5 -22.72(18) 2_655 .
N4 Co1 N1 C5 66.22(18) . .
N3 Co1 N1 C5 -110.07(18) 2_655 .
Cr2 Co1 N1 C5 -21.61(18) . .
Cr2 Cr2 N2 C6 155.4(3) 2_655 .
N5 Cr2 N2 C6 68.24(18) . .
Cr1 Cr2 N2 C6 -28.92(19) 2_655 .
Co1 Cr2 N2 C6 -28.92(19) 2_655 .
N5 Cr2 N2 C6 152.8(5) 2_655 .
N2 Cr2 N2 C6 -124.24(19) 2_655 .
Co1 Cr2 N2 C6 151.57(18) . .
Cr2 Cr2 N2 C5 -24.8(4) 2_655 .
N5 Cr2 N2 C5 -112.0(2) . .
Cr1 Cr2 N2 C5 150.9(2) 2_655 .
Co1 Cr2 N2 C5 150.9(2) 2_655 .
N5 Cr2 N2 C5 -27.4(6) 2_655 .
N2 Cr2 N2 C5 55.6(2) 2_655 .
Co1 Cr2 N2 C5 -28.6(2) . .
N5 Cr2 N2 Cr2 -87.2(3) . 2_655
Cr1 Cr2 N2 Cr2 175.6(4) 2_655 2_655
Co1 Cr2 N2 Cr2 175.6(4) 2_655 2_655
N5 Cr2 N2 Cr2 -2.7(4) 2_655 2_655
N2 Cr2 N2 Cr2 80.3(3) 2_655 2_655
Co1 Cr2 N2 Cr2 -3.9(3) . 2_655
Cr2 Co1 N4 C11 154.79(19) 2_655 .
N1 Co1 N4 C11 65.37(19) . .
N6 Co1 N4 C11 -117.62(19) . .
N7 Co1 N4 C11 -27.75(19) . .
Cr2 Co1 N4 C11 154.39(19) . .
Cr2 Co1 N4 C15 -20.58(18) 2_655 .
N1 Co1 N4 C15 -110.01(19) . .
N6 Co1 N4 C15 67.00(19) . .
N7 Co1 N4 C15 156.88(19) . .
Cr2 Co1 N4 C15 -20.99(18) . .
Cr2 Cr2 N5 C16 147.5(3) 2_655 .
N2 Cr2 N5 C16 -125.87(19) . .
Cr1 Cr2 N5 C16 -27.73(19) 2_655 .
Co1 Cr2 N5 C16 -27.73(19) 2_655 .
N5 Cr2 N5 C16 67.62(16) 2_655 .
N2 Cr2 N5 C16 144.6(5) 2_655 .
Co1 Cr2 N5 C16 151.06(18) . .
Cr2 Cr2 N5 C15 -37.9(4) 2_655 .
N2 Cr2 N5 C15 48.8(2) . .
Cr1 Cr2 N5 C15 146.9(2) 2_655 .
Co1 Cr2 N5 C15 146.9(2) 2_655 .
N5 Cr2 N5 C15 -117.7(2) 2_655 .
N2 Cr2 N5 C15 -40.8(6) 2_655 .
Co1 Cr2 N5 C15 -34.3(2) . .
N2 Cr2 N5 Cr2 86.7(3) . 2_655
Cr1 Cr2 N5 Cr2 -175.2(4) 2_655 2_655
Co1 Cr2 N5 Cr2 -175.2(4) 2_655 2_655
N5 Cr2 N5 Cr2 -79.8(3) 2_655 2_655
N2 Cr2 N5 Cr2 -2.9(4) 2_655 2_655
Co1 Cr2 N5 Cr2 3.6(3) . 2_655
Cr2 Co1 N6 C20 157.37(19) 2_655 2_655
N4 Co1 N6 C20 68.49(19) . 2_655
N3 Co1 N6 C20 -115.35(19) 2_655 2_655
N7 Co1 N6 C20 -22.53(19) . 2_655
Cr2 Co1 N6 C20 156.25(19) . 2_655
Cr2 Co1 N6 C16 -20.63(18) 2_655 2_655
N4 Co1 N6 C16 -109.51(18) . 2_655
N3 Co1 N6 C16 66.64(18) 2_655 2_655
N7 Co1 N6 C16 159.47(18) . 2_655
Cr2 Co1 N6 C16 -21.75(18) . 2_655
C5 N1 C1 C2 -0.8(4) . .
Co1 N1 C1 C2 175.77(19) . .
N1 C1 C2 C3 0.9(4) . .
C1 C2 C3 C4 -0.3(4) . .
C2 C3 C4 C5 -0.4(4) . .
C1 N1 C5 N2 -176.4(2) . .
Co1 N1 C5 N2 7.0(3) . .
C1 N1 C5 C4 0.1(3) . .
Co1 N1 C5 C4 -176.52(19) . .
C6 N2 C5 N1 -160.5(2) . .
Cr2 N2 C5 N1 19.8(3) . .
Cr2 N2 C5 N1 13.9(3) 2_655 .
C6 N2 C5 C4 23.3(4) . .
Cr2 N2 C5 C4 -156.4(2) . .
Cr2 N2 C5 C4 -162.3(2) 2_655 .
C3 C4 C5 N1 0.5(4) . .
C3 C4 C5 N2 176.5(3) . .
C5 N2 C6 N3 -159.0(2) . .
Cr2 N2 C6 N3 20.8(3) . .
Cr2 N2 C6 N3 27.2(3) 2_655 .
C5 N2 C6 C7 25.5(4) . .
Cr2 N2 C6 C7 -154.7(2) . .
Cr2 N2 C6 C7 -148.3(2) 2_655 .
C10 N3 C6 N2 177.8(2) . .
Cr1 N3 C6 N2 -2.7(3) 2_655 .
Co1 N3 C6 N2 -2.7(3) 2_655 .
C10 N3 C6 C7 -6.4(3) . .
Cr1 N3 C6 C7 173.14(19) 2_655 .
Co1 N3 C6 C7 173.14(19) 2_655 .
N2 C6 C7 C8 -177.6(3) . .
N3 C6 C7 C8 7.1(4) . .
C6 C7 C8 C9 -2.3(4) . .
C7 C8 C9 C10 -2.9(4) . .
C6 N3 C10 C9 1.0(4) . .
Cr1 N3 C10 C9 -178.5(2) 2_655 .
Co1 N3 C10 C9 -178.5(2) 2_655 .
C8 C9 C10 N3 3.6(4) . .
C15 N4 C11 C12 -1.6(4) . .
Co1 N4 C11 C12 -177.0(2) . .
N4 C11 C12 C13 0.5(4) . .
C11 C12 C13 C14 0.4(5) . .
C12 C13 C14 C15 -0.3(5) . .
C11 N4 C15 N5 -173.0(2) . .
Co1 N4 C15 N5 2.5(3) . .
C11 N4 C15 C14 1.7(4) . .
Co1 N4 C15 C14 177.1(2) . .
C16 N5 C15 N4 -158.9(2) . .
Cr2 N5 C15 N4 27.0(3) . .
Cr2 N5 C15 N4 18.4(3) 2_655 .
C16 N5 C15 C14 26.8(4) . .
Cr2 N5 C15 C14 -147.3(3) . .
Cr2 N5 C15 C14 -155.9(3) 2_655 .
C13 C14 C15 N4 -0.7(5) . .
C13 C14 C15 N5 173.3(3) . .
C15 N5 C16 N6 -158.7(2) . 2_655
Cr2 N5 C16 N6 15.9(3) . 2_655
Cr2 N5 C16 N6 24.3(3) 2_655 2_655
C15 N5 C16 C17 25.5(4) . .
Cr2 N5 C16 C17 -159.8(3) . .
Cr2 N5 C16 C17 -151.5(3) 2_655 .
N6 C16 C17 C18 0.4(5) 2_655 .
N5 C16 C17 C18 175.9(3) . .
C16 C17 C18 C19 -1.6(5) . .
C17 C18 C19 C20 0.1(5) . .
C18 C19 C20 N6 2.8(4) . 2_655
