#------------------------------------------------------------------------------
#$Date: 2021-06-30 01:37:21 +0300 (Wed, 30 Jun 2021) $
#$Revision: 266786 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/39/4003965.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_4003965
loop_
_publ_author_name
'Zheng, Huafei'
'Wilfong, Brandon C.'
'Hickox-Young, Daniel'
'Rondinelli, James M.'
'Zavalij, Peter Y.'
'Rodriguez, Efrain E.'
_publ_section_title
;
 Polar Ferromagnetic Metal by Intercalation of Metal--Amine Complexes
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.1c00540
_journal_year                    2021
_chemical_formula_moiety         '2(C6 H24 Co N6), C2 H8 N2, 4(Cl), +solv'
_chemical_formula_sum            'C15.91 H56 Cl4 Co2 N14'
_chemical_formula_weight         703.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL & ZCIF'
_cell_angle_alpha                90
_cell_angle_beta                 100.3681(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.4529(14)
_cell_length_b                   8.7631(4)
_cell_length_c                   23.7869(10)
_cell_measurement_reflns_used    9593
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.3
_cell_volume                     6859.3(5)
_computing_cell_refinement       'Apex2, Saint (Bruker, 2012)'
_computing_data_collection       'Apex2 (Bruker, 2012)'
_computing_data_reduction        'Apex2, Saint'
_computing_molecular_graphics    'Olex2 (Dolomanov, 2009)'
_computing_publication_material  'Apex2, SHELXL, Platon (Spek, 2015)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015c)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      -0.0002270
_diffrn_orient_matrix_UB_12      -0.0982474
_diffrn_orient_matrix_UB_13      -0.0214512
_diffrn_orient_matrix_UB_21      0.0298881
_diffrn_orient_matrix_UB_22      0.0097418
_diffrn_orient_matrix_UB_23      0.0008689
_diffrn_orient_matrix_UB_31      0.0054898
_diffrn_orient_matrix_UB_32      -0.0572275
_diffrn_orient_matrix_UB_33      0.0369536
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            47592
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.741
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.309
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Krause et al, 2015)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2972
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.091
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         7890
_refine_ls_number_restraints     721
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0350P)²+13.6390P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0938
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6431
_reflns_number_total             7890
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm1c00540_si_004.cif
_cod_data_source_block           UM3417b
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4003965
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.687
_shelx_estimated_absorpt_t_max   0.891
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.57384(2) 0.20818(6) 0.07717(2) 0.03066(13) Uani 1 1 d . . . . .
Cl2 Cl 0.42977(2) 0.74990(6) 0.26541(2) 0.03547(14) Uani 1 1 d . . . . .
Cl3 Cl 0.62191(2) 0.28320(8) 0.40774(3) 0.04272(16) Uani 1 1 d . . . . .
Cl4 Cl 0.79487(2) 0.34154(8) 0.22632(3) 0.04688(17) Uani 1 1 d . . . . .
N1 N 0.56377(6) 0.8069(2) 0.09104(8) 0.0327(4) Uani 1 1 d . . . . .
H1A H 0.566393 0.908773 0.085263 0.039 Uiso 1 1 d R U . . .
H1B H 0.567073 0.787849 0.128953 0.039 Uiso 1 1 d R U . . .
C1 C 0.59450(8) 0.7238(3) 0.06658(10) 0.0344(5) Uani 1 1 d . . . . .
H1C H 0.588415 0.735532 0.024507 0.041 Uiso 1 1 calc R U . . .
H1D H 0.592373 0.613952 0.075250 0.041 Uiso 1 1 calc R U . . .
C2 C 0.63742(9) 0.7748(3) 0.08780(15) 0.0498(7) Uani 1 1 d . . . . .
H2A H 0.655900 0.722323 0.065919 0.060 Uiso 1 1 calc R U . . .
H2B H 0.639612 0.886006 0.081729 0.060 Uiso 1 1 calc R U . . .
N2 N 0.64965(8) 0.7398(3) 0.14903(13) 0.0572(7) Uani 1 1 d . . . . .
H2C H 0.629913 0.767879 0.168585 0.069 Uiso 1 1 d R U . . .
H2D H 0.672734 0.791919 0.162589 0.069 Uiso 1 1 d R U . . .
Co1 Co 0.43302(2) 0.77386(3) 0.09438(2) 0.02492(8) Uani 1 1 d . . . . .
N11 N 0.44509(7) 0.5702(2) 0.14469(8) 0.0388(5) Uani 1 1 d . . . . .
H11A H 0.446681 0.592383 0.182404 0.047 Uiso 1 1 calc R U . . .
H11B H 0.424721 0.501378 0.134350 0.047 Uiso 1 1 calc R U . . .
C11 C 0.48402(9) 0.5062(3) 0.13464(10) 0.0412(6) Uani 1 1 d . . . . .
H11C H 0.486569 0.398592 0.147418 0.049 Uiso 1 1 calc R U . . .
H11D H 0.506983 0.564638 0.156575 0.049 Uiso 1 1 calc R U . . .
C12 C 0.48502(9) 0.5158(2) 0.07113(10) 0.0360(6) Uani 1 1 d . . . . .
H12A H 0.511404 0.477584 0.063594 0.043 Uiso 1 1 calc R U . . .
H12B H 0.463118 0.452013 0.049401 0.043 Uiso 1 1 calc R U . . .
N12 N 0.47934(6) 0.6766(2) 0.05291(8) 0.0266(4) Uani 1 1 d . . . . .
H12C H 0.471590 0.681966 0.014278 0.032 Uiso 1 1 calc R U . . .
H12D H 0.503039 0.728969 0.062984 0.032 Uiso 1 1 calc R U . . .
N13 N 0.47630(6) 0.9029(2) 0.15553(8) 0.0279(4) Uani 1 1 d . . . . .
H13A H 0.468366 0.903554 0.190170 0.033 Uiso 1 1 calc R U . . .
H13B H 0.501296 0.858833 0.159765 0.033 Uiso 1 1 calc R U . . .
C13 C 0.47816(8) 1.0610(2) 0.13426(10) 0.0338(5) Uani 1 1 d . . . . .
H13C H 0.504946 1.106331 0.149975 0.041 Uiso 1 1 calc R U . . .
H13D H 0.456897 1.123718 0.147121 0.041 Uiso 1 1 calc R U . . .
C14 C 0.47173(8) 1.0606(3) 0.06922(10) 0.0346(5) Uani 1 1 d . . . . .
H14A H 0.471019 1.166677 0.054766 0.042 Uiso 1 1 calc R U . . .
H14B H 0.494414 1.006394 0.056285 0.042 Uiso 1 1 calc R U . . .
N14 N 0.43311(7) 0.9836(2) 0.04689(8) 0.0317(4) Uani 1 1 d . . . . .
H14C H 0.431139 0.963662 0.008950 0.038 Uiso 1 1 calc R U . . .
H14D H 0.411759 1.043443 0.051783 0.038 Uiso 1 1 calc R U . . .
N15 N 0.3796(4) 0.8167(12) 0.1301(5) 0.041(2) Uani 0.377(9) 1 d D U P A 1
H15A H 0.385576 0.809951 0.168916 0.050 Uiso 0.377(9) 1 calc R U P A 1
H15B H 0.369998 0.912153 0.120590 0.050 Uiso 0.377(9) 1 calc R U P A 1
C15 C 0.3488(2) 0.7020(13) 0.1072(3) 0.0453(17) Uani 0.377(9) 1 d D U P A 1
H15C H 0.321868 0.733398 0.114852 0.054 Uiso 0.377(9) 1 calc R U P A 1
H15D H 0.355880 0.602278 0.125919 0.054 Uiso 0.377(9) 1 calc R U P A 1
C16 C 0.3473(3) 0.6877(14) 0.0433(3) 0.0448(18) Uani 0.377(9) 1 d D U P A 1
H16A H 0.327004 0.609756 0.027242 0.054 Uiso 0.377(9) 1 calc R U P A 1
H16B H 0.339215 0.786375 0.024388 0.054 Uiso 0.377(9) 1 calc R U P A 1
N16 N 0.3879(4) 0.6431(19) 0.0332(6) 0.038(2) Uani 0.377(9) 1 d D U P A 1
H16C H 0.390418 0.665273 -0.003377 0.045 Uiso 0.377(9) 1 calc R U P A 1
H16D H 0.391764 0.541063 0.038929 0.045 Uiso 0.377(9) 1 calc R U P A 1
N15A N 0.3815(2) 0.8649(7) 0.1302(3) 0.0346(12) Uani 0.623(9) 1 d D U P A 2
H15E H 0.385251 0.846184 0.168374 0.041 Uiso 0.623(9) 1 calc R U P A 2
H15F H 0.379525 0.967586 0.124626 0.041 Uiso 0.623(9) 1 calc R U P A 2
C15A C 0.34403(15) 0.7889(8) 0.1008(2) 0.0462(13) Uani 0.623(9) 1 d D U P A 2
H15G H 0.320015 0.851596 0.104479 0.055 Uiso 0.623(9) 1 calc R U P A 2
H15H H 0.341132 0.688156 0.118432 0.055 Uiso 0.623(9) 1 calc R U P A 2
C16A C 0.34654(16) 0.7690(8) 0.0382(2) 0.0440(12) Uani 0.623(9) 1 d D U P A 2
H16E H 0.321994 0.715601 0.018125 0.053 Uiso 0.623(9) 1 calc R U P A 2
H16F H 0.348017 0.870006 0.020076 0.053 Uiso 0.623(9) 1 calc R U P A 2
N16A N 0.3831(2) 0.6790(10) 0.0339(4) 0.0379(16) Uani 0.623(9) 1 d D U P A 2
H16G H 0.388552 0.684533 -0.002173 0.045 Uiso 0.623(9) 1 calc R U P A 2
H16H H 0.379279 0.579361 0.042283 0.045 Uiso 0.623(9) 1 calc R U P A 2
Co2 Co 0.66192(2) 0.29603(4) 0.23539(2) 0.02765(8) Uani 1 1 d . . . . .
N21 N 0.64892(9) 0.3959(3) 0.15439(12) 0.0256(6) Uani 0.6053(18) 1 d D U P B 1
H21A H 0.624724 0.360534 0.135106 0.031 Uiso 0.6053(18) 1 calc R U P B 1
H21B H 0.647080 0.498992 0.157758 0.031 Uiso 0.6053(18) 1 calc R U P B 1
C21 C 0.6817(2) 0.3573(7) 0.1228(3) 0.0319(13) Uani 0.6053(18) 1 d D U P B 1
H21C H 0.705871 0.421292 0.136637 0.038 Uiso 0.6053(18) 1 calc R U P B 1
H21D H 0.672613 0.377782 0.081581 0.038 Uiso 0.6053(18) 1 calc R U P B 1
C22 C 0.6927(3) 0.1899(8) 0.1318(3) 0.0325(13) Uani 0.6053(18) 1 d D U P B 1
H22A H 0.669206 0.125136 0.115486 0.039 Uiso 0.6053(18) 1 calc R U P B 1
H22B H 0.715735 0.164113 0.112702 0.039 Uiso 0.6053(18) 1 calc R U P B 1
N22 N 0.70395(10) 0.1634(3) 0.19405(12) 0.0267(7) Uani 0.6053(18) 1 d D U P B 1
H22C H 0.729989 0.194027 0.206890 0.032 Uiso 0.6053(18) 1 calc R U P B 1
H22D H 0.701977 0.062428 0.202010 0.032 Uiso 0.6053(18) 1 calc R U P B 1
N21A N 0.69371(15) 0.4528(5) 0.17981(19) 0.0280(10) Uani 0.3947(18) 1 d D U P B
2
H21E H 0.682526 0.547704 0.177744 0.034 Uiso 0.3947(18) 1 calc R U P B 2
H21F H 0.720650 0.460729 0.194780 0.034 Uiso 0.3947(18) 1 calc R U P B 2
C21A C 0.6879(4) 0.3822(10) 0.1227(4) 0.0296(18) Uani 0.3947(18) 1 d D U P B 2
H21G H 0.707994 0.423834 0.100824 0.035 Uiso 0.3947(18) 1 calc R U P B 2
H21H H 0.660340 0.405151 0.101452 0.035 Uiso 0.3947(18) 1 calc R U P B 2
C22A C 0.6935(4) 0.2115(11) 0.1297(5) 0.0313(18) Uani 0.3947(18) 1 d D U P B 2
H22E H 0.688180 0.161591 0.091764 0.038 Uiso 0.3947(18) 1 calc R U P B 2
H22F H 0.721784 0.188525 0.148098 0.038 Uiso 0.3947(18) 1 calc R U P B 2
N22A N 0.66504(16) 0.1515(5) 0.1653(2) 0.0299(10) Uani 0.3947(18) 1 d D U P B 2
H22G H 0.673362 0.057053 0.178433 0.036 Uiso 0.3947(18) 1 calc R U P B 2
H22H H 0.639848 0.142177 0.143551 0.036 Uiso 0.3947(18) 1 calc R U P B 2
N23 N 0.61153(9) 0.4006(3) 0.26648(12) 0.0256(6) Uani 0.6053(18) 1 d D U P B 1
H23A H 0.615446 0.393324 0.305249 0.031 Uiso 0.6053(18) 1 calc R U P B 1
H23B H 0.609979 0.501239 0.256914 0.031 Uiso 0.6053(18) 1 calc R U P B 1
C23 C 0.57349(19) 0.3233(7) 0.2412(4) 0.0292(14) Uani 0.6053(18) 1 d D U P B 1
H23C H 0.564954 0.355950 0.201015 0.035 Uiso 0.6053(18) 1 calc R U P B 1
H23D H 0.551726 0.351062 0.262577 0.035 Uiso 0.6053(18) 1 calc R U P B 1
C24 C 0.58025(18) 0.1524(8) 0.2438(4) 0.0293(13) Uani 0.6053(18) 1 d D U P B 1
H24A H 0.587685 0.119012 0.284119 0.035 Uiso 0.6053(18) 1 calc R U P B 1
H24B H 0.554996 0.098917 0.226301 0.035 Uiso 0.6053(18) 1 calc R U P B 1
N24 N 0.61336(9) 0.1146(3) 0.21248(12) 0.0242(6) Uani 0.6053(18) 1 d D U P B 1
H24C H 0.603869 0.114447 0.174141 0.029 Uiso 0.6053(18) 1 calc R U P B 1
H24D H 0.623710 0.020685 0.222901 0.029 Uiso 0.6053(18) 1 calc R U P B 1
N23A N 0.60263(14) 0.3918(5) 0.20085(19) 0.0254(10) Uani 0.3947(18) 1 d D U P B
2
H23E H 0.602454 0.494479 0.206445 0.031 Uiso 0.3947(18) 1 calc R U P B 2
H23F H 0.595686 0.372291 0.162766 0.031 Uiso 0.3947(18) 1 calc R U P B 2
C23A C 0.5745(3) 0.3146(12) 0.2329(6) 0.0286(19) Uani 0.3947(18) 1 d D U P B 2
H23G H 0.546478 0.318984 0.210822 0.034 Uiso 0.3947(18) 1 calc R U P B 2
H23H H 0.574923 0.366859 0.269895 0.034 Uiso 0.3947(18) 1 calc R U P B 2
C24A C 0.5875(3) 0.1498(11) 0.2432(6) 0.0310(18) Uani 0.3947(18) 1 d D U P B 2
H24E H 0.569050 0.096918 0.264983 0.037 Uiso 0.3947(18) 1 calc R U P B 2
H24F H 0.586369 0.096392 0.206255 0.037 Uiso 0.3947(18) 1 calc R U P B 2
N24A N 0.62942(16) 0.1477(5) 0.2758(2) 0.0332(11) Uani 0.3947(18) 1 d D U P B 2
H24G H 0.640073 0.052040 0.276158 0.040 Uiso 0.3947(18) 1 calc R U P B 2
H24H H 0.629829 0.177767 0.312519 0.040 Uiso 0.3947(18) 1 calc R U P B 2
N25 N 0.70782(10) 0.4475(3) 0.27443(12) 0.0282(7) Uani 0.6053(18) 1 d D U P B 1
H25A H 0.729220 0.444422 0.255646 0.034 Uiso 0.6053(18) 1 calc R U P B 1
H25B H 0.698016 0.544561 0.272655 0.034 Uiso 0.6053(18) 1 calc R U P B 1
C25 C 0.72135(16) 0.4021(5) 0.33503(18) 0.0335(10) Uani 0.6053(18) 1 d D U P B
1
H25C H 0.702231 0.442999 0.358585 0.040 Uiso 0.6053(18) 1 calc R U P B 1
H25D H 0.748602 0.445231 0.349564 0.040 Uiso 0.6053(18) 1 calc R U P B 1
C26 C 0.72291(16) 0.2301(5) 0.3396(2) 0.0325(10) Uani 0.6053(18) 1 d D U P B 1
H26A H 0.743115 0.189077 0.317827 0.039 Uiso 0.6053(18) 1 calc R U P B 1
H26B H 0.731019 0.199174 0.380062 0.039 Uiso 0.6053(18) 1 calc R U P B 1
N26 N 0.68245(9) 0.1700(3) 0.31626(13) 0.0265(6) Uani 0.6053(18) 1 d D U P B 1
H26C H 0.665116 0.186091 0.341090 0.032 Uiso 0.6053(18) 1 calc R U P B 1
H26D H 0.683678 0.068088 0.309481 0.032 Uiso 0.6053(18) 1 calc R U P B 1
N25A N 0.67013(14) 0.4742(5) 0.3041(2) 0.0297(10) Uani 0.3947(18) 1 d D U P B 2
H25E H 0.666505 0.568943 0.288277 0.036 Uiso 0.3947(18) 1 calc R U P B 2
H25F H 0.651655 0.460547 0.327394 0.036 Uiso 0.3947(18) 1 calc R U P B 2
C25A C 0.7117(2) 0.4588(8) 0.3368(3) 0.0373(16) Uani 0.3947(18) 1 d D U P B 2
H25G H 0.712872 0.500869 0.375731 0.045 Uiso 0.3947(18) 1 calc R U P B 2
H25H H 0.730772 0.517644 0.317879 0.045 Uiso 0.3947(18) 1 calc R U P B 2
C26A C 0.7241(3) 0.2935(9) 0.3408(3) 0.0397(17) Uani 0.3947(18) 1 d D U P B 2
H26E H 0.752594 0.284216 0.361068 0.048 Uiso 0.3947(18) 1 calc R U P B 2
H26F H 0.706526 0.235777 0.362531 0.048 Uiso 0.3947(18) 1 calc R U P B 2
N26A N 0.72033(17) 0.2308(6) 0.2828(2) 0.0386(11) Uani 0.3947(18) 1 d D U P B 2
H26G H 0.722478 0.127272 0.284286 0.046 Uiso 0.3947(18) 1 calc R U P B 2
H26H H 0.740440 0.268086 0.265517 0.046 Uiso 0.3947(18) 1 calc R U P B 2
C1X C 0.7289(3) 0.2767(12) 0.4975(4) 0.050 Uiso 0.350(8) 1 d . U . . .
C2X C 0.7525(6) 0.312(2) 0.4963(6) 0.050 Uiso 0.282(19) 1 d . U . . .
C3X C 0.2565(5) 0.353(2) -0.0038(6) 0.050 Uiso 0.294(19) 1 d . U . . .
C4X C 0.2844(4) 0.4181(14) 0.0038(5) 0.050 Uiso 0.266(7) 1 d . U . . .
C5X C 0.2943(4) 1.1140(13) 0.0172(5) 0.050 Uiso 0.277(7) 1 d . U . . .
C7X C 0.7741(4) 0.4637(16) 0.5072(6) 0.050 Uiso 0.233(7) 1 d . U . . .
C6X C 0.3068(4) 1.0219(16) 0.0578(6) 0.050 Uiso 0.218(7) 1 d . U . . .
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'
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'
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
C1 N1 H1A 109.5 . . ?
C1 N1 H1B 109.6 . . ?
H1A N1 H1B 109.5 . . ?
N1 C1 C2 114.6(2) . . ?
N1 C1 H1C 108.6 . . ?
C2 C1 H1C 108.6 . . ?
N1 C1 H1D 108.6 . . ?
C2 C1 H1D 108.6 . . ?
H1C C1 H1D 107.6 . . ?
N2 C2 C1 110.4(2) . . ?
N2 C2 H2A 109.6 . . ?
C1 C2 H2A 109.6 . . ?
N2 C2 H2B 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C2 N2 H2C 110.6 . . ?
C2 N2 H2D 108.3 . . ?
H2C N2 H2D 109.5 . . ?
N15 Co1 N11 90.6(3) . . ?
N15 Co1 N12 165.6(3) . . ?
N11 Co1 N12 81.25(8) . . ?
N15 Co1 N14 97.9(3) . . ?
N11 Co1 N14 169.24(9) . . ?
N12 Co1 N14 91.63(7) . . ?
N11 Co1 N16A 95.5(3) . . ?
N12 Co1 N16A 94.35(16) . . ?
N14 Co1 N16A 93.0(3) . . ?
N15 Co1 N13 98.4(3) . . ?
N11 Co1 N13 91.36(7) . . ?
N12 Co1 N13 93.71(7) . . ?
N14 Co1 N13 81.01(7) . . ?
N16A Co1 N13 170.10(19) . . ?
N11 Co1 N15A 99.64(19) . . ?
N12 Co1 N15A 174.69(15) . . ?
N14 Co1 N15A 88.20(19) . . ?
N16A Co1 N15A 80.36(19) . . ?
N13 Co1 N15A 91.51(14) . . ?
N15 Co1 N16 80.4(3) . . ?
N11 Co1 N16 88.5(4) . . ?
N12 Co1 N16 87.5(2) . . ?
N14 Co1 N16 99.3(4) . . ?
N13 Co1 N16 178.8(3) . . ?
C11 N11 Co1 107.96(14) . . ?
C11 N11 H11A 110.1 . . ?
Co1 N11 H11A 110.1 . . ?
C11 N11 H11B 110.1 . . ?
Co1 N11 H11B 110.1 . . ?
H11A N11 H11B 108.4 . . ?
N11 C11 C12 108.5(2) . . ?
N11 C11 H11C 110.0 . . ?
C12 C11 H11C 110.0 . . ?
N11 C11 H11D 110.0 . . ?
C12 C11 H11D 110.0 . . ?
H11C C11 H11D 108.4 . . ?
N12 C12 C11 108.65(18) . . ?
N12 C12 H12A 110.0 . . ?
C11 C12 H12A 110.0 . . ?
N12 C12 H12B 110.0 . . ?
C11 C12 H12B 110.0 . . ?
H12A C12 H12B 108.3 . . ?
C12 N12 Co1 107.94(15) . . ?
C12 N12 H12C 110.1 . . ?
Co1 N12 H12C 110.1 . . ?
C12 N12 H12D 110.1 . . ?
Co1 N12 H12D 110.1 . . ?
H12C N12 H12D 108.4 . . ?
C13 N13 Co1 108.77(14) . . ?
C13 N13 H13A 109.9 . . ?
Co1 N13 H13A 109.9 . . ?
C13 N13 H13B 109.9 . . ?
Co1 N13 H13B 109.9 . . ?
H13A N13 H13B 108.3 . . ?
N13 C13 C14 109.77(18) . . ?
N13 C13 H13C 109.7 . . ?
C14 C13 H13C 109.7 . . ?
N13 C13 H13D 109.7 . . ?
C14 C13 H13D 109.7 . . ?
H13C C13 H13D 108.2 . . ?
N14 C14 C13 108.81(19) . . ?
N14 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
N14 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C14 N14 Co1 106.60(14) . . ?
C14 N14 H14C 110.4 . . ?
Co1 N14 H14C 110.4 . . ?
C14 N14 H14D 110.4 . . ?
Co1 N14 H14D 110.4 . . ?
H14C N14 H14D 108.6 . . ?
C15 N15 Co1 108.1(6) . . ?
C15 N15 H15A 110.1 . . ?
Co1 N15 H15A 110.1 . . ?
C15 N15 H15B 110.1 . . ?
Co1 N15 H15B 110.1 . . ?
H15A N15 H15B 108.4 . . ?
N15 C15 C16 108.8(6) . . ?
N15 C15 H15C 109.9 . . ?
C16 C15 H15C 109.9 . . ?
N15 C15 H15D 109.9 . . ?
C16 C15 H15D 109.9 . . ?
H15C C15 H15D 108.3 . . ?
N16 C16 C15 108.7(7) . . ?
N16 C16 H16A 110.0 . . ?
C15 C16 H16A 110.0 . . ?
N16 C16 H16B 110.0 . . ?
C15 C16 H16B 110.0 . . ?
H16A C16 H16B 108.3 . . ?
C16 N16 Co1 107.1(7) . . ?
C16 N16 H16C 110.3 . . ?
Co1 N16 H16C 110.3 . . ?
C16 N16 H16D 110.3 . . ?
Co1 N16 H16D 110.3 . . ?
H16C N16 H16D 108.6 . . ?
C15A N15A Co1 108.0(4) . . ?
C15A N15A H15E 110.1 . . ?
Co1 N15A H15E 110.1 . . ?
C15A N15A H15F 110.1 . . ?
Co1 N15A H15F 110.1 . . ?
H15E N15A H15F 108.4 . . ?
N15A C15A C16A 108.9(4) . . ?
N15A C15A H15G 109.9 . . ?
C16A C15A H15G 109.9 . . ?
N15A C15A H15H 109.9 . . ?
C16A C15A H15H 109.9 . . ?
H15G C15A H15H 108.3 . . ?
N16A C16A C15A 108.8(5) . . ?
N16A C16A H16E 109.9 . . ?
C15A C16A H16E 109.9 . . ?
N16A C16A H16F 109.9 . . ?
C15A C16A H16F 109.9 . . ?
H16E C16A H16F 108.3 . . ?
C16A N16A Co1 107.4(4) . . ?
C16A N16A H16G 110.2 . . ?
Co1 N16A H16G 110.2 . . ?
C16A N16A H16H 110.2 . . ?
Co1 N16A H16H 110.2 . . ?
H16G N16A H16H 108.5 . . ?
N24A Co2 N22A 95.49(19) . . ?
N21 Co2 N25 98.99(11) . . ?
N24A Co2 N26A 95.4(2) . . ?
N22A Co2 N26A 94.88(19) . . ?
N21 Co2 N23 95.29(11) . . ?
N25 Co2 N23 97.65(12) . . ?
N24A Co2 N23A 84.08(17) . . ?
N22A Co2 N23A 96.01(18) . . ?
N26A Co2 N23A 169.11(17) . . ?
N21 Co2 N22 81.48(11) . . ?
N25 Co2 N22 93.21(12) . . ?
N23 Co2 N22 169.04(11) . . ?
N21 Co2 N26 171.57(11) . . ?
N25 Co2 N26 81.05(11) . . ?
N23 Co2 N26 93.05(11) . . ?
N22 Co2 N26 90.09(11) . . ?
N24A Co2 N25A 96.11(19) . . ?
N22A Co2 N25A 167.63(18) . . ?
N26A Co2 N25A 79.77(17) . . ?
N23A Co2 N25A 89.45(16) . . ?
N21 Co2 N24 92.91(11) . . ?
N25 Co2 N24 167.92(11) . . ?
N23 Co2 N24 79.08(10) . . ?
N22 Co2 N24 90.58(11) . . ?
N26 Co2 N24 87.48(10) . . ?
N24A Co2 N21A 173.06(18) . . ?
N22A Co2 N21A 79.07(16) . . ?
N26A Co2 N21A 89.4(2) . . ?
N23A Co2 N21A 92.13(17) . . ?
N25A Co2 N21A 89.66(17) . . ?
C21 N21 Co2 108.8(3) . . ?
C21 N21 H21A 109.9 . . ?
Co2 N21 H21A 109.9 . . ?
C21 N21 H21B 109.9 . . ?
Co2 N21 H21B 109.9 . . ?
H21A N21 H21B 108.3 . . ?
N21 C21 C22 109.4(5) . . ?
N21 C21 H21C 109.8 . . ?
C22 C21 H21C 109.8 . . ?
N21 C21 H21D 109.8 . . ?
C22 C21 H21D 109.8 . . ?
H21C C21 H21D 108.2 . . ?
N22 C22 C21 107.8(5) . . ?
N22 C22 H22A 110.2 . . ?
C21 C22 H22A 110.2 . . ?
N22 C22 H22B 110.2 . . ?
C21 C22 H22B 110.2 . . ?
H22A C22 H22B 108.5 . . ?
C22 N22 Co2 107.3(3) . . ?
C22 N22 H22C 110.3 . . ?
Co2 N22 H22C 110.3 . . ?
C22 N22 H22D 110.3 . . ?
Co2 N22 H22D 110.3 . . ?
H22C N22 H22D 108.5 . . ?
C21A N21A Co2 106.4(4) . . ?
C21A N21A H21E 110.4 . . ?
Co2 N21A H21E 110.4 . . ?
C21A N21A H21F 110.4 . . ?
Co2 N21A H21F 110.4 . . ?
H21E N21A H21F 108.6 . . ?
N21A C21A C22A 108.7(7) . . ?
N21A C21A H21G 110.0 . . ?
C22A C21A H21G 110.0 . . ?
N21A C21A H21H 110.0 . . ?
C22A C21A H21H 110.0 . . ?
H21G C21A H21H 108.3 . . ?
N22A C22A C21A 109.6(7) . . ?
N22A C22A H22E 109.7 . . ?
C21A C22A H22E 109.7 . . ?
N22A C22A H22F 109.7 . . ?
C21A C22A H22F 109.7 . . ?
H22E C22A H22F 108.2 . . ?
C22A N22A Co2 111.5(5) . . ?
C22A N22A H22G 109.3 . . ?
Co2 N22A H22G 109.3 . . ?
C22A N22A H22H 109.3 . . ?
Co2 N22A H22H 109.3 . . ?
H22G N22A H22H 108.0 . . ?
C23 N23 Co2 109.6(3) . . ?
C23 N23 H23A 109.7 . . ?
Co2 N23 H23A 109.7 . . ?
C23 N23 H23B 109.7 . . ?
Co2 N23 H23B 109.7 . . ?
H23A N23 H23B 108.2 . . ?
N23 C23 C24 109.1(5) . . ?
N23 C23 H23C 109.9 . . ?
C24 C23 H23C 109.9 . . ?
N23 C23 H23D 109.9 . . ?
C24 C23 H23D 109.9 . . ?
H23C C23 H23D 108.3 . . ?
N24 C24 C23 108.7(5) . . ?
N24 C24 H24A 110.0 . . ?
C23 C24 H24A 110.0 . . ?
N24 C24 H24B 110.0 . . ?
C23 C24 H24B 110.0 . . ?
H24A C24 H24B 108.3 . . ?
C24 N24 Co2 106.9(3) . . ?
C24 N24 H24C 110.3 . . ?
Co2 N24 H24C 110.3 . . ?
C24 N24 H24D 110.3 . . ?
Co2 N24 H24D 110.3 . . ?
H24C N24 H24D 108.6 . . ?
C23A N23A Co2 104.5(4) . . ?
C23A N23A H23E 110.8 . . ?
Co2 N23A H23E 110.8 . . ?
C23A N23A H23F 110.8 . . ?
Co2 N23A H23F 110.8 . . ?
H23E N23A H23F 108.9 . . ?
N23A C23A C24A 109.2(7) . . ?
N23A C23A H23G 109.8 . . ?
C24A C23A H23G 109.8 . . ?
N23A C23A H23H 109.8 . . ?
C24A C23A H23H 109.8 . . ?
H23G C23A H23H 108.3 . . ?
N24A C24A C23A 108.3(7) . . ?
N24A C24A H24E 110.0 . . ?
C23A C24A H24E 110.0 . . ?
N24A C24A H24F 110.0 . . ?
C23A C24A H24F 110.0 . . ?
H24E C24A H24F 108.4 . . ?
C24A N24A Co2 106.3(5) . . ?
C24A N24A H24G 110.5 . . ?
Co2 N24A H24G 110.5 . . ?
C24A N24A H24H 110.5 . . ?
Co2 N24A H24H 110.5 . . ?
H24G N24A H24H 108.7 . . ?
C25 N25 Co2 109.2(2) . . ?
C25 N25 H25A 109.8 . . ?
Co2 N25 H25A 109.8 . . ?
C25 N25 H25B 109.8 . . ?
Co2 N25 H25B 109.8 . . ?
H25A N25 H25B 108.3 . . ?
N25 C25 C26 109.7(3) . . ?
N25 C25 H25C 109.7 . . ?
C26 C25 H25C 109.7 . . ?
N25 C25 H25D 109.7 . . ?
C26 C25 H25D 109.7 . . ?
H25C C25 H25D 108.2 . . ?
N26 C26 C25 108.3(4) . . ?
N26 C26 H26A 110.0 . . ?
C25 C26 H26A 110.0 . . ?
N26 C26 H26B 110.0 . . ?
C25 C26 H26B 110.0 . . ?
H26A C26 H26B 108.4 . . ?
C26 N26 Co2 105.7(2) . . ?
C26 N26 H26C 110.6 . . ?
Co2 N26 H26C 110.6 . . ?
C26 N26 H26D 110.6 . . ?
Co2 N26 H26D 110.6 . . ?
H26C N26 H26D 108.7 . . ?
C25A N25A Co2 107.6(4) . . ?
C25A N25A H25E 110.2 . . ?
Co2 N25A H25E 110.2 . . ?
C25A N25A H25F 110.2 . . ?
Co2 N25A H25F 110.2 . . ?
H25E N25A H25F 108.5 . . ?
N25A C25A C26A 110.2(5) . . ?
N25A C25A H25G 109.6 . . ?
C26A C25A H25G 109.6 . . ?
N25A C25A H25H 109.6 . . ?
C26A C25A H25H 109.6 . . ?
H25G C25A H25H 108.1 . . ?
N26A C26A C25A 109.0(5) . . ?
N26A C26A H26E 109.9 . . ?
C25A C26A H26E 109.9 . . ?
N26A C26A H26F 109.9 . . ?
C25A C26A H26F 109.9 . . ?
H26E C26A H26F 108.3 . . ?
C26A N26A Co2 108.1(4) . . ?
C26A N26A H26G 110.1 . . ?
Co2 N26A H26G 110.1 . . ?
C26A N26A H26H 110.1 . . ?
Co2 N26A H26H 110.1 . . ?
H26G N26A H26H 108.4 . . ?
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
N1 C1 1.463(3) . ?
N1 H1A 0.9098 . ?
N1 H1B 0.9042 . ?
C1 C2 1.502(4) . ?
C1 H1C 0.9900 . ?
C1 H1D 0.9900 . ?
C2 N2 1.473(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
N2 H2C 0.9073 . ?
N2 H2D 0.9054 . ?
Co1 N15 2.146(14) . ?
Co1 N11 2.146(2) . ?
Co1 N12 2.1566(19) . ?
Co1 N14 2.1579(19) . ?
Co1 N16A 2.164(9) . ?
Co1 N13 2.1757(19) . ?
Co1 N15A 2.204(8) . ?
Co1 N16 2.219(16) . ?
N11 C11 1.476(4) . ?
N11 H11A 0.9100 . ?
N11 H11B 0.9100 . ?
C11 C12 1.519(3) . ?
C11 H11C 0.9900 . ?
C11 H11D 0.9900 . ?
C12 N12 1.477(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
N12 H12C 0.9100 . ?
N12 H12D 0.9100 . ?
N13 C13 1.480(3) . ?
N13 H13A 0.9100 . ?
N13 H13B 0.9100 . ?
C13 C14 1.523(3) . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C14 N14 1.470(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
N14 H14C 0.9100 . ?
N14 H14D 0.9100 . ?
N15 C15 1.472(7) . ?
N15 H15A 0.9100 . ?
N15 H15B 0.9100 . ?
C15 C16 1.515(6) . ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C16 N16 1.474(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N16 H16C 0.9100 . ?
N16 H16D 0.9100 . ?
N15A C15A 1.479(5) . ?
N15A H15E 0.9100 . ?
N15A H15F 0.9100 . ?
C15A C16A 1.516(5) . ?
C15A H15G 0.9900 . ?
C15A H15H 0.9900 . ?
C16A N16A 1.475(5) . ?
C16A H16E 0.9900 . ?
C16A H16F 0.9900 . ?
N16A H16G 0.9100 . ?
N16A H16H 0.9100 . ?
Co2 N24A 2.043(5) . ?
Co2 N21 2.089(3) . ?
Co2 N22A 2.111(5) . ?
Co2 N25 2.114(3) . ?
Co2 N26A 2.150(5) . ?
Co2 N23 2.163(3) . ?
Co2 N23A 2.174(5) . ?
Co2 N22 2.189(3) . ?
Co2 N26 2.217(3) . ?
Co2 N25A 2.241(5) . ?
Co2 N24 2.268(3) . ?
Co2 N21A 2.296(4) . ?
N21 C21 1.476(6) . ?
N21 H21A 0.9100 . ?
N21 H21B 0.9100 . ?
C21 C22 1.517(5) . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C22 N22 1.478(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
N22 H22C 0.9100 . ?
N22 H22D 0.9100 . ?
N21A C21A 1.473(7) . ?
N21A H21E 0.9100 . ?
N21A H21F 0.9100 . ?
C21A C22A 1.513(7) . ?
C21A H21G 0.9900 . ?
C21A H21H 0.9900 . ?
C22A N22A 1.479(7) . ?
C22A H22E 0.9900 . ?
C22A H22F 0.9900 . ?
N22A H22G 0.9100 . ?
N22A H22H 0.9100 . ?
N23 C23 1.471(6) . ?
N23 H23A 0.9100 . ?
N23 H23B 0.9100 . ?
C23 C24 1.515(5) . ?
C23 H23C 0.9900 . ?
C23 H23D 0.9900 . ?
C24 N24 1.480(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
N24 H24C 0.9100 . ?
N24 H24D 0.9100 . ?
N23A C23A 1.476(7) . ?
N23A H23E 0.9100 . ?
N23A H23F 0.9100 . ?
C23A C24A 1.516(6) . ?
C23A H23G 0.9900 . ?
C23A H23H 0.9900 . ?
C24A N24A 1.475(7) . ?
C24A H24E 0.9900 . ?
C24A H24F 0.9900 . ?
N24A H24G 0.9100 . ?
N24A H24H 0.9100 . ?
N25 C25 1.485(5) . ?
N25 H25A 0.9100 . ?
N25 H25B 0.9100 . ?
C25 C26 1.512(5) . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C26 N26 1.465(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
N26 H26C 0.9100 . ?
N26 H26D 0.9100 . ?
N25A C25A 1.473(6) . ?
N25A H25E 0.9100 . ?
N25A H25F 0.9100 . ?
C25A C26A 1.506(6) . ?
C25A H25G 0.9900 . ?
C25A H25H 0.9900 . ?
C26A N26A 1.469(6) . ?
C26A H26E 0.9900 . ?
C26A H26F 0.9900 . ?
N26A H26G 0.9100 . ?
N26A H26H 0.9100 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N1 H1A Cl1 0.91 2.65 3.554(2) 175.4 1_565 yes
N1 H1B Cl2 0.90 2.52 3.419(2) 174.5 2_655 yes
N2 H2C Cl2 0.91 2.76 3.627(3) 160.8 2_655 yes
N2 H2D Cl4 0.91 2.70 3.324(3) 126.5 4_655 yes
N11 H11A Cl2 0.91 2.55 3.394(2) 153.6 . yes
N11 H11B Cl3 0.91 2.56 3.449(2) 167.5 2_655 yes
N12 H12C Cl1 0.91 2.60 3.4319(19) 151.7 5_665 yes
N12 H12D N1 0.91 2.13 3.030(3) 168.3 . yes
N13 H13A Cl2 0.91 2.74 3.5379(19) 146.8 . yes
N13 H13B Cl2 0.91 2.81 3.617(2) 147.8 2_655 yes
N14 H14C Cl1 0.91 2.52 3.3678(19) 154.5 5_665 yes
N14 H14D Cl3 0.91 2.65 3.487(2) 154.0 2_665 yes
N15 H15A Cl2 0.91 2.55 3.402(11) 155.7 . yes
N16 H16C Cl1 0.91 2.55 3.382(14) 152.5 5_665 yes
N16 H16D Cl3 0.91 2.67 3.492(17) 150.5 2_655 yes
N15A H15E Cl2 0.91 2.65 3.479(7) 152.0 . yes
N15A H15F Cl3 0.91 2.87 3.772(6) 171.6 2_665 yes
N16A H16G Cl1 0.91 2.54 3.377(9) 152.9 5_665 yes
N16A H16H Cl3 0.91 2.86 3.751(10) 167.3 2_655 yes
N21 H21A Cl1 0.91 2.39 3.275(3) 162.9 . yes
N21 H21B N2 0.91 2.12 3.016(4) 166.7 . yes
N22 H22C Cl4 0.91 2.50 3.382(3) 164.2 . yes
N22 H22D Cl4 0.91 2.57 3.394(3) 151.1 4_645 yes
N21A H21E N2 0.91 2.06 2.940(5) 162.8 . yes
N21A H21F Cl4 0.91 2.67 3.504(5) 152.1 . yes
N22A H22H Cl1 0.91 2.54 3.413(5) 161.1 . yes
N23 H23A Cl3 0.91 2.59 3.471(3) 161.9 . yes
N23 H23B Cl2 0.91 2.56 3.388(3) 151.8 2_655 yes
N24 H24C Cl1 0.91 2.48 3.354(3) 160.0 . yes
N23A H23E Cl2 0.91 2.62 3.461(4) 153.5 2_655 yes
N23A H23F Cl1 0.91 2.49 3.339(4) 155.0 . yes
N24A H24G Cl4 0.91 2.86 3.696(5) 153.0 4_645 yes
N24A H24H Cl3 0.91 2.50 3.407(5) 171.6 . yes
N25 H25A Cl4 0.91 2.58 3.443(3) 157.7 . yes
N25 H25B Cl4 0.91 2.61 3.454(3) 154.1 4_655 yes
N26 H26C Cl3 0.91 2.48 3.377(3) 168.7 . yes
N26 H26D Cl4 0.91 2.32 3.188(3) 158.5 4_645 yes
N25A H25E Cl4 0.91 2.77 3.544(5) 143.9 4_655 yes
N25A H25F Cl3 0.91 2.78 3.594(5) 149.2 . yes
N26A H26G Cl4 0.91 2.57 3.450(5) 162.1 4_645 yes
N26A H26H Cl4 0.91 2.28 3.189(6) 174.2 . yes
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
N1 C1 C2 N2 66.1(3) . . . . ?
Co1 N11 C11 C12 -42.7(2) . . . . ?
N11 C11 C12 N12 57.2(3) . . . . ?
C11 C12 N12 Co1 -41.2(2) . . . . ?
Co1 N13 C13 C14 -33.3(2) . . . . ?
N13 C13 C14 N14 55.6(3) . . . . ?
C13 C14 N14 Co1 -47.9(2) . . . . ?
Co1 N15 C15 C16 -45.4(9) . . . . ?
N15 C15 C16 N16 58.7(11) . . . . ?
C15 C16 N16 Co1 -40.3(11) . . . . ?
Co1 N15A C15A C16A -38.3(6) . . . . ?
N15A C15A C16A N16A 58.0(7) . . . . ?
C15A C16A N16A Co1 -46.5(6) . . . . ?
Co2 N21 C21 C22 43.5(6) . . . . ?
N21 C21 C22 N22 -56.5(8) . . . . ?
C21 C22 N22 Co2 39.8(7) . . . . ?
Co2 N21A C21A C22A -41.1(9) . . . . ?
N21A C21A C22A N22A 56.3(12) . . . . ?
C21A C22A N22A Co2 -41.9(11) . . . . ?
Co2 N23 C23 C24 44.5(7) . . . . ?
N23 C23 C24 N24 -58.6(8) . . . . ?
C23 C24 N24 Co2 41.2(6) . . . . ?
Co2 N23A C23A C24A -37.3(10) . . . . ?
N23A C23A C24A N24A 59.2(13) . . . . ?
C23A C24A N24A Co2 -48.0(11) . . . . ?
Co2 N25 C25 C26 38.9(5) . . . . ?
N25 C25 C26 N26 -57.8(5) . . . . ?
C25 C26 N26 Co2 45.1(4) . . . . ?
Co2 N25A C25A C26A -34.9(7) . . . . ?
N25A C25A C26A N26A 56.5(9) . . . . ?
C25A C26A N26A Co2 -47.8(8) . . . . ?
