<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II)]-μ-3,5-dinitrosalicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] 0.2-hydrate]
Wen-Dong Song; Xian-Xia Guo; Hong He; Acta Crystallographica Section E 63 (2007) m610–m612; doi:10.1107/S1600536807003121

data_2212014
_publ_section_title
;<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II)]-\m-3,5-dinitrosalicylato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>'']
 0.2-hydrate]
;
_journal_coeditor_code           BG2016
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m610
_journal_page_last               m612
_journal_paper_doi               10.1107/S1600536807003121
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ni (C7 H2 N2 O7) (C10 H8 N2) (H2 O)] , 0.2H2 O'
_chemical_formula_moiety         'C17 H12 N4 Ni O8 , 0.2H2 O'
_chemical_formula_sum            'C17 H12.4 N4 Ni O8.2'
_chemical_formula_weight         462.62
_chemical_name_systematic
;
catena-Poly[[[aqua(2,2'-bipyridine-N,N')nickel(II)]-\m-3,5-
dinitrosalicylate-\k^3^O,O':O''] 0.2-hydrate]
;
_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_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                 126.278(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.9347(14)
_cell_length_b                   6.4537(3)
_cell_length_c                   22.7534(11)
_cell_measurement_reflns_used    4354
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      2.12
_cell_volume                     3780.4(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker,1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28778
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.81
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.083
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.384
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0353
_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^)+(0.051P)^2^+2.1068P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.0986
_reflns_number_gt                3459
_reflns_number_total             4354
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2016.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212014
_cod_database_fobs_code          2212014