Crystal structure of poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)dinickel(II)]
Zuo, Minghui; Wang, Haiyu; Xu, Jie; Zhu, Lingling; Cui, Shuxin; Acta Crystallographica Section E 71 (2015) 709–711; doi:10.1107/S2056989015009706

data_2240786
_publ_section_title
;
 Crystal structure of
 poly[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')tetrakis(\m-cyanido-\k^2^<i>N</i>:<i>C</i>)dinickel(II)]
;
_journal_coeditor_code           WM5162
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              709
_journal_page_last               711
_journal_paper_doi               10.1107/S2056989015009706
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Ni2 (C N)4 (C10 H8 N2)]'
_chemical_formula_moiety         'C14 H8 N6 Ni2'
_chemical_formula_sum            'C14 H8 N6 Ni2'
_chemical_formula_weight         377.68
_chemical_name_systematic
Poly[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')tetrakis(\m-cyanido-\k^2^<i>N</i>:<i>C</i>)dinickel(II)]
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 90.852(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.519(5)
_cell_length_b                   16.698(5)
_cell_length_c                   12.019(5)
_cell_measurement_reflns_used    3858
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      0.998
_cell_volume                     1308.2(12)
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_collection
;
SMART (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3858
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         3.35
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.881
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.397
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.055
_refine_diff_density_max         0.713
_refine_diff_density_min         -0.397
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0374P)^2^+0.9543P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0737
_reflns_number_gt                1039
_reflns_number_total             1156
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm5162sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2240786
_cod_database_fobs_code          2240786