Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]
Guo, Yi-Ping; Li, Dong-Ying; Li, Guo-Ting; Acta Crystallographica Section C 68 (2012) m284–m286; doi:10.1107/S010827011203750X

data_2018635
_publ_section_title
;
 Poly[[bis{\m~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)]
 <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]
;
_journal_coeditor_code           FN3111
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m284
_journal_page_last               m286
_journal_paper_doi               10.1107/S010827011203750X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ni Cl2 (C19 H17 N5 O2)2] , 4C3 H7 N O'
_chemical_formula_moiety         'C38 H34 Cl2 N10 Ni O4, 4(C3 H7 N O)'
_chemical_formula_sum            'C50 H62 Cl2 N14 Ni O8'
_chemical_formula_weight         1116.75
_chemical_name_systematic
;
Poly[[bis{\m~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-
2,6-dicarboxamide}dichloridonickel(II)]
<i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.432(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6822(8)
_cell_length_b                   19.039(2)
_cell_length_c                   19.1684(18)
_cell_measurement_reflns_used    2607
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.65
_cell_measurement_theta_min      2.78
_cell_volume                     2674.8(5)
_computing_cell_refinement       'SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0557
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18986
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    0.529
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.311
_exptl_crystal_size_mid          0.235
_exptl_crystal_size_min          0.113
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.236
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         4712
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0433
_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^)+(0.0518P)^2^+0.0123P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1111
_reflns_number_gt                3382
_reflns_number_total             4712
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fn3111.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-p 2ybc'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2018635
_cod_database_fobs_code          2018635