<i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']nickel(II)] dinitrate]
Hyun, Min Young; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee; Acta Crystallographica Section E 67 (2011) m390–; doi:10.1107/S1600536811007021

data_2229901
_publ_section_title
;
 <i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene-\k^2^<i>N</i>:<i>N</i>']nickel(II)]
 dinitrate]
;
_journal_coeditor_code           ZS2096
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m390
_journal_paper_doi               10.1107/S1600536811007021
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ni (C12 H10 N2) (H2 O)4] (N O3)2'
_chemical_formula_moiety         'C12 H18 N2 Ni O4 2+, 2(N O3 -)'
_chemical_formula_sum            'C12 H18 N4 Ni O10'
_chemical_formula_weight         436.99
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene-
\k^2^<i>N</i>:<i>N</i>']nickel(II)] dinitrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 97.307(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.415(3)
_cell_length_b                   11.426(4)
_cell_length_c                   10.950(4)
_cell_measurement_reflns_used    1268
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.36
_cell_measurement_theta_min      2.59
_cell_volume                     920.2(6)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.1734
_diffrn_reflns_av_sigmaI/netI    0.1315
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4954
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.113
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.084
_refine_diff_density_min         -1.856
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1799
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.1001
_refine_ls_R_factor_gt           0.0684
_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^)+(0.1257P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1830
_refine_ls_wR_factor_ref         0.2378
_reflns_number_gt                1116
_reflns_number_total             1799
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2096.cif
_cod_data_source_block           I
_cod_original_cell_volume        920.1(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2229901
_cod_database_fobs_code          2229901