[6,6'-Bis(chloromethyl)-2,2'-bipyridyl]dichlorocobalt(II)
Nellas, Ricky B.; Fronczek, Frank R.; Newkome, George R.; Watkins, Steven F.; Xia, Yuanjiao; Acta Crystallographica Section E 62 (2006) m1522–m1523; doi:10.1107/S1600536806021362

data_2209384
_publ_section_title
;
 [6,6'-Bis(chloromethyl)-2,2'-bipyridyl]dichlorocobalt(II)
;
_journal_coeditor_code           BH2020
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1522
_journal_page_last               m1523
_journal_paper_doi               10.1107/S1600536806021362
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co (C12 H10 Cl2 N2) Cl2]'
_chemical_formula_moiety         'C12 H10 Cl4 Co1 N2'
_chemical_formula_sum            'C12 H10 Cl4 Co N2'
_chemical_formula_weight         382.95
_chemical_name_systematic
;
Dichloro[6,6'-bis(chloromethyl)-2,2'-bipyridine]cobalt(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.847(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4783(10)
_cell_length_b                   15.727(2)
_cell_length_c                   12.652(2)
_cell_measurement_reflns_used    5746
_cell_measurement_temperature    105
_cell_measurement_theta_max      33.7
_cell_measurement_theta_min      2.5
_cell_volume                     1438.3(4)
_computing_cell_refinement
'HKL Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'HKL Denzo and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'Nonius KappaCCD (with Oxford Cryostream)'
_diffrn_measurement_method       '\w scans with \k offsets'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41075
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         33.74
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        <2
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.92
_exptl_absorpt_correction_T_max  0.8023
_exptl_absorpt_correction_T_min  0.6251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(HKL Scalepack; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.77
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle fragment'
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.667
_refine_diff_density_min         -0.602
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         5719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0211P)^2^+0.7315P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                4468
_reflns_number_total             5719
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2020.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2209384
_cod_database_fobs_code          2209384