Poly[[μ-(3-aminopyridine)-κ^2^<i>N</i>:<i>N</i>'-μ-chlorido-chlorido(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)nickel(II)] <i>N</i>,<i>N</i>'-dimethylformamide monosolvate]
Yeh, Chun-Wei; Jou, Chi-Hsiung; Tsou, Chi-Hui; Suen, Maw-Cherng; Acta Crystallographica Section E 68 (2012) m1204–m1205; doi:10.1107/S1600536812036215

data_2236724
_publ_section_title
;
 Poly[[\m-(3-aminopyridine)-\k^2^<i>N</i>:<i>N</i>'-\m-chlorido-chlorido(<i>N</i>,<i>N</i>'-dimethylformamide-\k<i>O</i>)nickel(II)]
 <i>N</i>,<i>N</i>'-dimethylformamide monosolvate]
;
_journal_coeditor_code           XU5609
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1204
_journal_page_last               m1205
_journal_paper_doi               10.1107/S1600536812036215
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ni Cl2 (C5 H6 N2) (C3 H7 N O)], C3 H7 N O'
_chemical_formula_moiety         'C8 H13 Cl2 N3 Ni O, C3 H7 N O'
_chemical_formula_sum            'C11 H20 Cl2 N4 Ni O2'
_chemical_formula_weight         369.92
_chemical_name_systematic
;
Poly[[\m-(3-aminopyridine)-\k^2^<i>N</i>:<i>N</i>'-\m-chlorido-
chlorido(<i>N</i>,<i>N</i>'-dimethylformamide-\k<i>O</i>)nickel(II)]
<i>N</i>,<i>N</i>'-dimethylformamide monosolvate]
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.832(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3684(2)
_cell_length_b                   15.0571(3)
_cell_length_c                   10.0976(2)
_cell_measurement_reflns_used    4748
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0090
_cell_measurement_theta_min      3.2218
_cell_volume                     1530.70(5)
_computing_cell_refinement       'SAINT (Bruker, 2010)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT (Bruker, 2010)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6140
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    1.622
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.339
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2748
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0322P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0579
_reflns_number_gt                2333
_reflns_number_total             2748
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5609.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236724
_cod_database_fobs_code          2236724