##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     'WinGX routine-INITIALISE'
_journal_date_recd_electronic     2013-05-21
_journal_date_accepted     2013-06-04
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2013
_journal_volume     69
_journal_issue      7
_journal_page_first     m379
_journal_page_last     m380
_journal_paper_category     QM
_journal_paper_doi     10.1107/S1600536813015602
_journal_coeditor_code     VM2195
_publ_contact_author_name     'Lamia, Bendjeddou'
_publ_contact_author_address
;
Unité de recherche Chimie de l'environnement et molculaire, structurale
`CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas, Université
Mentouri de Constantine, 25000 Constantine, Algeria
;
_publ_contact_author_email     'Lamiabendjeddou@yahoo.fr'
_publ_contact_author_fax     '00 (213) 31 61 46 44'
_publ_contact_author_phone     '00 (213) 31 61 46 44'
_publ_section_title
;
4-(Dimethylamino)pyridinium
trichlorido[4-(dimethylamino)pyridine-κN]cobaltate(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Guenifa, Fatiha'
;
Unité de Recherche Chimie de l'Environnement et Moléculaire Structurale
'CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas,
Université Constantine I, 25000 Constantine, Algeria
;
    'Hadjadj, Nasreddine'
;
Unité de Recherche Chimie de l'Environnement et Moléculaire Structurale
'CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas,
Université Constantine I, 25000 Constantine, Algeria
;
    'Zeghouan, Ouahida'
;
Unité de Recherche Chimie de l'Environnement et Moléculaire Structurale
'CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas,
Université Constantine I, 25000 Constantine, Algeria
;
    'Bendjeddou, Lamia'
;
Unité de Recherche Chimie de l'Environnement et Moléculaire Structurale
'CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas,
Université Constantine I, 25000 Constantine, Algeria
;
    'Merazig, Hocine'
;
Unité de Recherche Chimie de l'Environnement et Moléculaire Structurale
'CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas,
Université Constantine I, 25000 Constantine, Algeria
;
_publ_section_synopsis     .
data_I
_chemical_name_systematic
;
4-(Dimethylamino)pyridinium
trichlorido[4-(dimethylamino)pyridine-κN]cobaltate(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C7 H11 N2 +, C7 H10 Cl3 Co N2 -'
_chemical_formula_sum     'C14 H21 Cl3 Co N4'
_chemical_formula_structural     'C14 H21 Cl3 Co N4'
_chemical_formula_iupac     '(C7 H11 N2) [Co Cl3 (C7 H10 N2)]'
_chemical_formula_weight     410.63
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 x,y,z
    2 -x,-y,-z
_cell_length_a     7.7468(2)
_cell_length_b     8.4036(2)
_cell_length_c     15.4765(4)
_cell_angle_alpha     79.732(2)
_cell_angle_beta     89.983(2)
_cell_angle_gamma     67.889(2)
_cell_volume     916.02(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3230
_cell_measurement_theta_min     2.67
_cell_measurement_theta_max     25.04
_cell_measurement_temperature     293(2)
_exptl_crystal_description     ' prism'
_exptl_crystal_colour     ' Blue'
_exptl_crystal_size_max     0.1
_exptl_crystal_size_mid     0.09
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.489
_exptl_crystal_density_method     'Not Measured'
_exptl_crystal_F_000     422
_exptl_absorpt_coefficient_mu     1.375
_exptl_absorpt_correction_type     none
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device     'Bruker APEXII'
_diffrn_measurement_method     φ
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7932
_diffrn_reflns_av_R_equivalents     0.012
_diffrn_reflns_av_sigmaI/netI     0.0145
_diffrn_reflns_theta_min     2.67
_diffrn_reflns_theta_max     25.04
_diffrn_reflns_theta_full     25.04
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_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 >
σ(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.
;
_reflns_number_total     3230
_reflns_number_gt     2982
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0229
_refine_ls_R_factor_gt     0.0205
_refine_ls_wR_factor_gt     0.0526
_refine_ls_wR_factor_ref     0.0541
_refine_ls_goodness_of_fit_ref     1.044
_refine_ls_restrained_S_all     1.044
_refine_ls_number_reflns     3230
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0266P)²+0.4298P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max     0.002
_refine_ls_shift/su_mean     0
_refine_diff_density_max     0.312
_refine_diff_density_min     -0.239
_refine_ls_extinction_method     ' none'
_refine_ls_extinction_coef     ?
_refine_ls_extinction_expression     ?
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 0 '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'
    Co Co 0.3494 0.9721 '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'
_computing_data_collection     'APEX2 (Bruker, 2006)'
_computing_cell_refinement     'SAINT (Bruker, 2006)'
_computing_data_reduction     'SAINT (Bruker, 2006)'
_computing_structure_solution     'SIR2002 (Burla et al., 2005)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material
;
WinGX (Farrugia, 2012), Mercury (Macrae et al., 2006) and
POVRay
(Persistence of Vision Team, 2004)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    Co Co 0.97567(3) -0.05454(3) 0.755090(10)
                                            0.02130(10)
                                                      Uani . . 1.000
    Cl Cl1 1.17207(6) 0.08718(6) 0.73814(3) 0.03060(10)
                                                      Uani . . 1.000
    Cl Cl2 1.12085(6) -0.34664(5) 0.80434(3) 0.03410(10)
                                                       Uani . . 1.000
    Cl Cl3 0.80521(6) -0.03086(6) 0.63092(3) 0.03090(10)
                                                       Uani . . 1.000
    N N1 0.4028(2) 0.28626(19) 1.01267(9) 0.0296(4) Uani . . 1.000
    N N2 0.78837(18) 0.06985(17) 0.83537(9) 0.0226(4) Uani . . 1.000
    C C1 0.2121(2) 0.2955(3) 1.00244(12) 0.0344(5) Uani . . 1.000
    C C2 0.4620(3) 0.3238(3) 1.09356(12) 0.0404(6) Uani . . 1.000
    C C3 0.5268(2) 0.2194(2) 0.95499(10) 0.0240(5) Uani . . 1.000
    C C4 0.4763(2) 0.1638(2) 0.88186(10) 0.0247(5) Uani . . 1.000
    C C5 0.6070(2) 0.0912(2) 0.82633(10) 0.0235(5) Uani . . 1.000
    C C6 0.8363(2) 0.1278(2) 0.90386(11) 0.0261(5) Uani . . 1.000
    C C7 0.7166(2) 0.1992(2) 0.96373(11) 0.0279(5) Uani . . 1.000
    N N3 0.5958(2) 0.6338(2) 0.60387(10) 0.0348(5) Uani . . 1.000
    N N4 0.8714(2) 0.4027(2) 0.40501(11) 0.0345(5) Uani . . 1.000
    C C8 0.4455(3) 0.8064(3) 0.58671(16) 0.0464(7) Uani . . 1.000
    C C9 0.6493(4) 0.5499(4) 0.69593(13) 0.0620(9) Uani . . 1.000
    C C10 0.6871(2) 0.5610(2) 0.53913(11) 0.0242(5) Uani . . 1.000
    C C11 0.6388(2) 0.6428(2) 0.44901(11) 0.0261(5) Uani . . 1.000
    C C12 0.7323(3) 0.5605(3) 0.38523(11) 0.0318(6) Uani . . 1.000
    C C13 0.9237(3) 0.3224(2) 0.48886(14) 0.0359(6) Uani . . 1.000
    C C14 0.8384(2) 0.3958(2) 0.55592(12) 0.0309(5) Uani . . 1.000
    H H1A 0.14222 0.34572 1.04879 0.0515 Uiso . . 1.000
    H H1B 0.21388 0.17984 1.00525 0.0515 Uiso . . 1.000
    H H1C 0.15458 0.36701 0.94653 0.0515 Uiso . . 1.000
    H H2A 0.35548 0.37006 1.12652 0.0605 Uiso . . 1.000
    H H2B 0.51870 0.40810 1.07920 0.0605 Uiso . . 1.000
    H H2C 0.55093 0.21800 1.12820 0.0605 Uiso . . 1.000
    H H4A 0.35311 0.17666 0.87136 0.0296 Uiso . . 1.000
    H H5 0.56902 0.05397 0.77929 0.0281 Uiso . . 1.000
    H H6 0.95919 0.11843 0.91068 0.0313 Uiso . . 1.000
    H H7 0.75922 0.23461 1.01020 0.0334 Uiso . . 1.000
    H H4 0.92757 0.35268 0.36341 0.0414 Uiso . . 1.000
    H H8A 0.39712 0.83607 0.64133 0.0696 Uiso . . 1.000
    H H8B 0.34751 0.80547 0.54908 0.0696 Uiso . . 1.000
    H H8C 0.49274 0.89144 0.55842 0.0696 Uiso . . 1.000
    H H9A 0.56759 0.62160 0.73266 0.0929 Uiso . . 1.000
    H H9B 0.77569 0.53523 0.71003 0.0929 Uiso . . 1.000
    H H9C 0.63979 0.43749 0.70578 0.0929 Uiso . . 1.000
    H H11 0.54315 0.75273 0.43378 0.0313 Uiso . . 1.000
    H H12 0.69889 0.61485 0.32650 0.0382 Uiso . . 1.000
    H H13 1.02129 0.21331 0.50122 0.0430 Uiso . . 1.000
    H H14 0.87896 0.33776 0.61367 0.0371 Uiso . . 1.000
_geom_special_details
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All su's are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Co Cl1 . . 2.2482(6) yes
    Co Cl2 . . 2.2642(5) yes
    Co Cl3 . . 2.2680(5) yes
    Co N2 . . 2.0154(14) yes
    N1 C1 . . 1.457(2) no
    N1 C2 . . 1.459(2) no
    N1 C3 . . 1.344(2) no
    N2 C5 . . 1.352(2) no
    N2 C6 . . 1.349(2) no
    N3 C9 . . 1.456(3) no
    N3 C10 . . 1.331(2) no
    N3 C8 . . 1.457(3) no
    N4 C12 . . 1.339(3) no
    N4 C13 . . 1.336(3) no
    N4 H4 . . 0.8600 no
    C3 C7 . . 1.419(2) no
    C3 C4 . . 1.407(2) no
    C4 C5 . . 1.363(2) no
    C6 C7 . . 1.363(2) no
    C1 H1B . . 0.9600 no
    C1 H1A . . 0.9600 no
    C1 H1C . . 0.9600 no
    C2 H2C . . 0.9600 no
    C2 H2A . . 0.9600 no
    C2 H2B . . 0.9600 no
    C4 H4A . . 0.9300 no
    C5 H5 . . 0.9300 no
    C6 H6 . . 0.9300 no
    C7 H7 . . 0.9300 no
    C10 C11 . . 1.422(2) no
    C10 C14 . . 1.420(2) no
    C11 C12 . . 1.358(3) no
    C13 C14 . . 1.347(3) no
    C8 H8A . . 0.9600 no
    C8 H8B . . 0.9600 no
    C8 H8C . . 0.9600 no
    C9 H9A . . 0.9600 no
    C9 H9B . . 0.9600 no
    C9 H9C . . 0.9600 no
    C11 H11 . . 0.9300 no
    C12 H12 . . 0.9300 no
    C13 H13 . . 0.9300 no
    C14 H14 . . 0.9300 no
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    Co H4 3.2300 . 2_756 no
    Cl1 N2 3.3714(16) . . no
    Cl1 C4 3.5458(17) . 1_655 no
    Cl1 C5 3.6498(17) . 1_655 no
    Cl1 C6 3.6194(17) . . no
    Cl1 C12 3.549(2) . 2_766 no
    Cl2 N4 3.3535(17) . 2_756 no
    Cl2 Cl3 3.5783(7) . . no
    Cl3 N2 3.4083(14) . . no
    Cl3 Cl2 3.5783(7) . . no
    Cl3 C8 3.648(3) . 1_545 no
    Cl3 C13 3.4048(19) . 2_756 no
    Cl3 N4 3.3279(17) . 2_756 no
    Cl3 C5 3.5318(16) . . no
    Cl1 H5 3.0400 . 1_655 no
    Cl1 H14 2.8700 . . no
    Cl1 H12 3.0400 . 2_766 no
    Cl1 H4A 2.8500 . 1_655 no
    Cl1 H8A 2.8400 . 1_645 no
    Cl1 H6 3.1400 . . no
    Cl1 H2C 3.0700 . 2_757 no
    Cl2 H1C 2.8900 . 1_645 no
    Cl2 H1A 3.0500 . 2_657 no
    Cl2 H2B 3.1500 . 2_757 no
    Cl2 H4 2.6400 . 2_756 no
    Cl3 H8C 3.0000 . 1_545 no
    Cl3 H5 2.9500 . . no
    Cl3 H4 2.7000 . 2_756 no
    Cl3 H8B 3.0300 . 2_666 no
    Cl3 H11 2.8600 . 2_666 no
    Cl3 H13 2.8100 . 2_756 no
    N2 Cl1 3.3714(16) . . no
    N2 Cl3 3.4083(14) . . no
    N4 C14 3.394(2) . 2_766 no
    N4 Cl2 3.3535(17) . 2_756 no
    N4 Cl3 3.3279(17) . 2_756 no
    N2 H1B 2.9400 . 2_657 no
    N4 H8B 2.8700 . 2_666 no
    C4 Cl1 3.5458(17) . 1_455 no
    C5 Cl1 3.6498(17) . 1_455 no
    C8 Cl3 3.648(3) . 1_565 no
    C10 C13 3.509(3) . 2_766 no
    C10 C11 3.533(2) . 2_666 no
    C11 C10 3.533(2) . 2_666 no
    C12 Cl1 3.549(2) . 2_766 no
    C13 C10 3.509(3) . 2_766 no
    C13 Cl3 3.4048(19) . 2_756 no
    C13 C14 3.491(3) . 2_766 no
    C14 C13 3.491(3) . 2_766 no
    C14 N4 3.394(2) . 2_766 no
    C1 H4A 2.4900 . . no
    C2 H9A 2.8000 . 2_667 no
    C2 H7 2.5600 . . no
    C3 H2B 2.9600 . 2_667 no
    C4 H1B 2.7700 . . no
    C4 H1C 2.7400 . . no
    C5 H1B 3.0700 . 2_657 no
    C6 H1B 2.8800 . 2_657 no
    C7 H2B 3.0600 . 2_667 no
    C7 H2B 2.7800 . . no
    C7 H2C 2.8500 . . no
    C7 H1B 2.9700 . 2_657 no
    C8 H11 2.5500 . . no
    C9 H2A 2.9400 . 2_667 no
    C9 H14 2.5300 . . no
    C11 H8B 2.7900 . . no
    C11 H8C 2.8300 . . no
    C13 H8B 2.8000 . 2_666 no
    C14 H9B 2.8000 . . no
    C14 H9C 2.7800 . . no
    H1A H2A 2.1400 . . no
    H1A Cl2 3.0500 . 2_657 no
    H1B C7 2.9700 . 2_657 no
    H1B H4A 2.3400 . . no
    H1B C4 2.7700 . . no
    H1B C6 2.8800 . 2_657 no
    H1B N2 2.9400 . 2_657 no
    H1B C5 3.0700 . 2_657 no
    H1C Cl2 2.8900 . 1_465 no
    H1C C4 2.7400 . . no
    H1C H4A 2.2600 . . no
    H2A H1A 2.1400 . . no
    H2A C9 2.9400 . 2_667 no
    H2A H9A 2.2800 . 2_667 no
    H2B H7 2.2900 . . no
    H2B C7 2.7800 . . no
    H2B C3 2.9600 . 2_667 no
    H2B C7 3.0600 . 2_667 no
    H2B Cl2 3.1500 . 2_757 no
    H2C Cl1 3.0700 . 2_757 no
    H2C C7 2.8500 . . no
    H2C H7 2.4600 . . no
    H4 Cl2 2.6400 . 2_756 no
    H4 Co 3.2300 . 2_756 no
    H4 Cl3 2.7000 . 2_756 no
    H4A Cl1 2.8500 . 1_455 no
    H4A H1C 2.2600 . . no
    H4A H1B 2.3400 . . no
    H4A C1 2.4900 . . no
    H5 Cl1 3.0400 . 1_455 no
    H5 Cl3 2.9500 . . no
    H6 Cl1 3.1400 . . no
    H7 C2 2.5600 . . no
    H7 H2B 2.2900 . . no
    H7 H2C 2.4600 . . no
    H8A Cl1 2.8400 . 1_465 no
    H8A H9A 2.0700 . . no
    H8B C11 2.7900 . . no
    H8B H11 2.3400 . . no
    H8B Cl3 3.0300 . 2_666 no
    H8B N4 2.8700 . 2_666 no
    H8B C13 2.8000 . 2_666 no
    H8C Cl3 3.0000 . 1_565 no
    H8C C11 2.8300 . . no
    H8C H11 2.3900 . . no
    H8C H8C 2.3600 . 2_676 no
    H9A H8A 2.0700 . . no
    H9A C2 2.8000 . 2_667 no
    H9A H2A 2.2800 . 2_667 no
    H9B C14 2.8000 . . no
    H9B H14 2.3500 . . no
    H9C C14 2.7800 . . no
    H9C H14 2.3300 . . no
    H11 C8 2.5500 . . no
    H11 H8B 2.3400 . . no
    H11 H8C 2.3900 . . no
    H11 Cl3 2.8600 . 2_666 no
    H12 Cl1 3.0400 . 2_766 no
    H13 Cl3 2.8100 . 2_756 no
    H14 Cl1 2.8700 . . no
    H14 C9 2.5300 . . no
    H14 H9B 2.3500 . . no
    H14 H9C 2.3300 . . no
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cl1 Co Cl2 . . . 113.59(2) no
    Cl1 Co Cl3 . . . 115.11(2) no
    Cl1 Co N2 . . . 104.37(4) no
    Cl2 Co Cl3 . . . 104.29(2) no
    Cl2 Co N2 . . . 114.18(4) no
    Cl3 Co N2 . . . 105.29(4) no
    C1 N1 C2 . . . 118.24(16) no
    C1 N1 C3 . . . 119.92(15) no
    C2 N1 C3 . . . 121.09(17) no
    Co N2 C5 . . . 121.29(11) no
    Co N2 C6 . . . 122.80(12) no
    C5 N2 C6 . . . 115.81(14) no
    C9 N3 C10 . . . 121.60(18) no
    C8 N3 C9 . . . 116.52(19) no
    C8 N3 C10 . . . 121.76(16) no
    C12 N4 C13 . . . 120.55(16) no
    C13 N4 H4 . . . 120.00 no
    C12 N4 H4 . . . 120.00 no
    N1 C3 C4 . . . 121.87(15) no
    C4 C3 C7 . . . 115.53(14) no
    N1 C3 C7 . . . 122.61(15) no
    C3 C4 C5 . . . 120.32(15) no
    N2 C5 C4 . . . 124.10(15) no
    N2 C6 C7 . . . 124.37(16) no
    C3 C7 C6 . . . 119.83(15) no
    H1A C1 H1B . . . 109.00 no
    H1A C1 H1C . . . 109.00 no
    N1 C1 H1C . . . 109.00 no
    N1 C1 H1A . . . 109.00 no
    N1 C1 H1B . . . 109.00 no
    H1B C1 H1C . . . 109.00 no
    H2B C2 H2C . . . 109.00 no
    N1 C2 H2B . . . 109.00 no
    N1 C2 H2A . . . 109.00 no
    H2A C2 H2B . . . 109.00 no
    H2A C2 H2C . . . 109.00 no
    N1 C2 H2C . . . 109.00 no
    C3 C4 H4A . . . 120.00 no
    C5 C4 H4A . . . 120.00 no
    N2 C5 H5 . . . 118.00 no
    C4 C5 H5 . . . 118.00 no
    C7 C6 H6 . . . 118.00 no
    N2 C6 H6 . . . 118.00 no
    C6 C7 H7 . . . 120.00 no
    C3 C7 H7 . . . 120.00 no
    C11 C10 C14 . . . 115.84(15) no
    N3 C10 C11 . . . 122.27(15) no
    N3 C10 C14 . . . 121.88(16) no
    C10 C11 C12 . . . 120.02(16) no
    N4 C12 C11 . . . 121.46(16) no
    N4 C13 C14 . . . 121.57(17) no
    C10 C14 C13 . . . 120.53(17) no
    N3 C8 H8A . . . 109.00 no
    N3 C8 H8B . . . 109.00 no
    N3 C8 H8C . . . 109.00 no
    H8A C8 H8B . . . 109.00 no
    H8A C8 H8C . . . 109.00 no
    H8B C8 H8C . . . 109.00 no
    N3 C9 H9A . . . 109.00 no
    N3 C9 H9B . . . 109.00 no
    N3 C9 H9C . . . 109.00 no
    H9A C9 H9B . . . 109.00 no
    H9A C9 H9C . . . 109.00 no
    H9B C9 H9C . . . 109.00 no
    C10 C11 H11 . . . 120.00 no
    C12 C11 H11 . . . 120.00 no
    N4 C12 H12 . . . 119.00 no
    C11 C12 H12 . . . 119.00 no
    N4 C13 H13 . . . 119.00 no
    C14 C13 H13 . . . 119.00 no
    C10 C14 H14 . . . 120.00 no
    C13 C14 H14 . . . 120.00 no
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Cl1 Co N2 C5 . . . . 144.99(11) no
    Cl1 Co N2 C6 . . . . -38.86(13) no
    Cl2 Co N2 C5 . . . . -90.41(12) no
    Cl2 Co N2 C6 . . . . 85.75(13) no
    Cl3 Co N2 C5 . . . . 23.37(13) no
    Cl3 Co N2 C6 . . . . -160.48(12) no
    C1 N1 C3 C4 . . . . 2.7(2) no
    C1 N1 C3 C7 . . . . -176.94(16) no
    C2 N1 C3 C4 . . . . 172.62(16) no
    C2 N1 C3 C7 . . . . -7.0(3) no
    Co N2 C5 C4 . . . . 175.57(12) no
    C6 N2 C5 C4 . . . . -0.8(2) no
    Co N2 C6 C7 . . . . -174.29(13) no
    C5 N2 C6 C7 . . . . 2.1(2) no
    C8 N3 C10 C14 . . . . 177.51(18) no
    C9 N3 C10 C11 . . . . -178.8(2) no
    C9 N3 C10 C14 . . . . 1.6(3) no
    C8 N3 C10 C11 . . . . -2.9(3) no
    C12 N4 C13 C14 . . . . 0.5(3) no
    C13 N4 C12 C11 . . . . -0.8(3) no
    C7 C3 C4 C5 . . . . 1.9(2) no
    N1 C3 C4 C5 . . . . -177.79(15) no
    N1 C3 C7 C6 . . . . 178.90(16) no
    C4 C3 C7 C6 . . . . -0.8(2) no
    C3 C4 C5 N2 . . . . -1.1(2) no
    N2 C6 C7 C3 . . . . -1.3(3) no
    N3 C10 C11 C12 . . . . -177.82(19) no
    C14 C10 C11 C12 . . . . 1.8(3) no
    N3 C10 C14 C13 . . . . 177.53(18) no
    C11 C10 C14 C13 . . . . -2.1(3) no
    C10 C11 C12 N4 . . . . -0.4(3) no
    N4 C13 C14 C10 . . . . 1.0(3) no
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    N4 H4 Cl2 2_756 0.8600 2.6400 3.3535(17) 142.00 yes
    N4 H4 Cl3 2_756 0.8600 2.7000 3.3279(17) 131.00 yes
    C13 H13 Cl3 2_756 0.9300 2.8100 3.4048(19) 123.00 yes
