Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN<sup>1</sup>)dichloridocobalt(II).
Sanchez Montilva, Olga Carolina; Movilla, Federico; Rodriguez, Maricel Gabriela; Di Salvo, Florencia; Acta crystallographica. Section C, Structural chemistry 73 (2017) 399–406; doi:10.1107/S2053229617004880

data_2311882
_publ_section_title
;
 Synthesis, crystal structure and study of the crystal packing in the
 complex bis(4-aminopyridine-\kN<sup>1</sup>)dichloridocobalt(II).
;
_journal_coeditor_code           YO3026
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              399
_journal_page_last               406
_journal_paper_doi               10.1107/S2053229617004880
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co Cl2 (C5 H6 N2)2]'
_chemical_formula_moiety         'C10 H12 Cl2 Co1 N4'
_chemical_formula_sum            'C10 H12 Cl2 Co N4'
_chemical_formula_weight         316.98
_chemical_name_systematic
;
Bis(4-aminopyridine-\k<i>N</i>^1^)dichloridocobalt(II)
;
_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   geom
_cell_angle_alpha                90
_cell_angle_beta                 101.825(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9262(9)
_cell_length_b                   9.9679(10)
_cell_length_c                   14.9683(13)
_cell_measurement_reflns_used    655
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.3490
_cell_measurement_theta_min      4.3120
_cell_volume                     1303.5(2)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1158
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4351
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.792
_diffrn_reflns_theta_min         3.834
_exptl_absorpt_coefficient_mu    1.661
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_description       prism
_exptl_crystal_F_000             638
_exptl_crystal_size_max          0.625
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.365
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     81
_refine_ls_number_reflns         1515
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1316
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0291P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                790
_reflns_number_total             1515
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yo3026sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1303.6(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C10 H12 Cl2 Co1 N4'
_cod_database_code               2311882
_shelx_hkl_checksum              98723
_shelx_res_checksum              18659