Cd(2,2'-bipyridine-<i>N</i>,<i>N</i>')Ni(CN)~4~, a highly bent close two-dimensional network of [Cd-{(NC)Ni~1/4~}~4~]~<i>n~</i>
Hashimoto, Masato; Iwamoto, Toschitake; Acta Crystallographica Section C 50 (1994) 496–498; doi:10.1107/S0108270193011126

data_2009587
_publ_contact_author
;
  Dr. Masato Hashimoto
  Department of Synthetic Chemistry,
  Faculty of Engineering,
  The University of Tokyo,
  Hongo, Bunkyo, Tokyo 113,
  Japan
;
_publ_section_title
;
 Cd(2,2'-bipyridine-<i>N</i>,<i>N</i>')Ni(CN)~4~, a highly bent close
 two-dimensional network of [Cd-{(NC)Ni~1/4~}~4~]~<i>n~</i>
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              496
_journal_page_last               498
_journal_paper_doi               10.1107/S0108270193011126
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '[Cd (C10 H8 N2)] [Ni (C N)4]'
_chemical_formula_sum            'C14 H8 Cd N6 Ni'
_chemical_formula_weight         431.36
_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_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 91.140(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7900(10)
_cell_length_b                   17.2380(10)
_cell_length_c                   12.4640(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.47
_cell_measurement_theta_min      17.15
_cell_volume                     1458.6(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_solution    TEXSAN
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'RIGAKU AFC-5R diffractometer'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'RIGAKU AFC-5R rotating Mo anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_number            7070
_diffrn_reflns_theta_max         35.1
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   'empirical psi scan'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.96
_exptl_crystal_description       prism
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.00
_refine_diff_density_min         -0.65
_refine_ls_goodness_of_fit_obs   1.42
_refine_ls_hydrogen_treatment    'All H atoms were refined isotropically'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         2328
_refine_ls_R_factor_obs          0.036
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
  w = 4Fo^2^/\s^2^(Fo)^2^,
  \s^2^(Fo)^2^ = [S^2^(C+R^2^B)+(pFo^2^)^2^]/Lp^2^,
  S = scan rate
  C = total integrated peak count
  R = ratio of scan time to background counting time
  B = total background count
  Lp = Lorenz polarization factor
  p = p-factor
;
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          2328
_reflns_number_total             6633
_reflns_observed_criterion       I>=3.0\s(I)
_cod_data_source_file            as1078.cif
_cod_data_source_block           default
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2009587