<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]-di-μ-1,5-dicyanamido-κ<i>N</i>^1^:κ<i>N</i>^5^]
Xiao-Ping Shen; Ai-Hua Yuan; Acta Crystallographica Section E 61 (2005) m1937–m1939; doi:10.1107/S1600536805027674

data_2207020
_publ_section_title
<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)nickel(II)]-di-\m-1,5-dicyanamido-\k<i>N</i>^1^:\k<i>N</i>^5^]
_journal_coeditor_code           NG6186
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1937
_journal_page_last               m1939
_journal_paper_doi               10.1107/S1600536805027674
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ni (C2 N3)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C10 H14 N8 Ni O2'
_chemical_formula_sum            'C10 H14 N8 Ni O2'
_chemical_formula_weight         336.98
_chemical_name_systematic
;
catena-Poly[[bis(N,N-dimethylformamide-\kO)nickel(II)]-di-
\m-1,5-dicyanamido-\kN^1^:\kN^5^]
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 112.503(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.3866(17)
_cell_length_b                   7.3166(7)
_cell_length_c                   8.0595(10)
_cell_measurement_reflns_used    1804
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.2335
_cell_volume                     729.28(15)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
;
the coordinates of the Co structure of Tong et al. (2003) were used
;
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_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  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0143
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4029
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    1.348
_exptl_absorpt_correction_T_max  0.774
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             348
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.154
_refine_diff_density_min         -0.468
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         900
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0225
_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^)+(0.0436P)^2^+0.3824P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0617
_reflns_number_gt                887
_reflns_number_total             900
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng6186.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2207020
_cod_database_fobs_code          2207020