Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~
Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping; Acta Crystallographica Section C 70 (2014) 522–527; doi:10.1107/S2053229614009000

data_2019531
_publ_section_title
;
 Two different one-dimensional supramolecular chains formed from the
 reaction of
 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two
 different precursors, Co(NO~3~)~2~ and CoCl~2~
;
_journal_coeditor_code           BG3176
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              522
_journal_page_last               527
_journal_paper_doi               10.1107/S2053229614009000
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Co (N O3)2 (C22 H16 N4)] , C H2 Cl2, C2 H3 N'
_chemical_formula_moiety         'C25 H21 Cl2 Co N7 O6'
_chemical_formula_sum            'C25 H21 Cl2 Co N7 O6'
_chemical_formula_weight         645.32
_chemical_name_systematic
;<i>catena</i>-Poly[[[dinitratocobalt(II)]-\m-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] dichloromethane monosolvate
acetonitrile monosolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.949(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3883(5)
_cell_length_b                   15.8826(8)
_cell_length_c                   16.3309(12)
_cell_measurement_reflns_used    4115
_cell_measurement_temperature    14E1(5)
_cell_measurement_theta_max      28.3350
_cell_measurement_theta_min      3.3670
_cell_volume                     2668.6(3)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2013)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2013)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2013)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      14E1(5)
_diffrn_detector_area_resol_mean 16.0793
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Agilent SuperNova Dual diffractometer (Cu at zero) with Eos detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11856
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  5
_diffrn_standards_number         12867
_exptl_absorpt_coefficient_mu    0.899
_exptl_absorpt_correction_T_max  0.9735
_exptl_absorpt_correction_T_min  0.7998
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2013)'
_exptl_crystal_colour            'clear light red'
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.672
_refine_diff_density_min         -1.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         5444
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0728
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0864P)^2^+11.4352P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1859
_refine_ls_wR_factor_ref         0.2006
_reflns_number_gt                4354
_reflns_number_total             5444
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3176sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2019531
_cod_database_fobs_code          2019531