<i>catena</i>-Poly[[dichloridonickel(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']
Zhang, Ling; Yu, Jian; Acta Crystallographica Section E 63 (2007) m1759–m1759; doi:10.1107/S1600536807024324

data_2213858
_publ_section_title
<i>catena</i>-Poly[[dichloridonickel(II)]-\m-1,2-di-4-pyridylethane-\k^2^<i>N</i>:<i>N</i>']
_journal_coeditor_code           IS2165
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1759
_journal_page_last               m1759
_journal_paper_doi               10.1107/S1600536807024324
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni Cl2 (C12 H12 N2)]'
_chemical_formula_moiety         'C12 H12 Cl2 N2 Ni'
_chemical_formula_sum            'C12 H12 Cl2 N2 Ni'
_chemical_formula_weight         313.85
_chemical_name_systematic
;
<i>catena</i>-Poly[[dichloridonickel(II)]-\m-1,2-di-4-pyridylethane-
\k^2^N:N']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.988(5)
_cell_angle_beta                 84.165(5)
_cell_angle_gamma                84.475(5)
_cell_formula_units_Z            2
_cell_length_a                   5.3979(17)
_cell_length_b                   8.806(3)
_cell_length_c                   14.018(4)
_cell_measurement_reflns_used    1592
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.53
_cell_measurement_theta_min      2.713
_cell_volume                     659.6(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker,1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEXII area-detector diffractometer'
_diffrn_measurement_method       '\f and \w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3306
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.46
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.853
_exptl_absorpt_correction_T_max  0.574
_exptl_absorpt_correction_T_min  0.511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.978
_refine_diff_density_min         -1.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0501
_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^)+(0.1008P)^2^+0.3P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1442
_reflns_number_gt                1942
_reflns_number_total             2297
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is2165.cif
_cod_data_source_block           I
_cod_database_code               2213858
_cod_database_fobs_code          2213858