<i>catena</i>-Poly[[bis(<i>O</i>-isopropyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']
Hill, Denise D.; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m2808–m2808; doi:10.1107/S1600536807051616

data_2215957
_publ_section_title
;<i>catena</i>-Poly[[bis(<i>O</i>-isopropyl
 dithiocarbonato-\k^2^<i>S</i>,<i>S</i>')nickel(II)]-\m-1,2-di-4-pyridylethane-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           HB2592
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2808
_journal_page_last               m2808
_journal_paper_doi               10.1107/S1600536807051616
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni (C4 H7 O S2)2 (C12 H12 N2)]'
_chemical_formula_moiety         'C20 H26 N2 Ni O2 S4'
_chemical_formula_sum            'C20 H26 N2 Ni O2 S4'
_chemical_formula_weight         513.38
_chemical_name_systematic
;
catena-Poly[[bis(O-isopropyl
dithiocarbonato-\k^2^S,S')nickel(II)]-\m-1,2-di-4-pyridylethane-\k^2^N:N']
;
_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           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 104.256(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1460(6)
_cell_length_b                   15.8638(10)
_cell_length_c                   15.0545(9)
_cell_measurement_reflns_used    1905
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.9
_cell_volume                     2348.5(2)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Rigaku AFC12\k/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_av_sigmaI/netI    0.017
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3974
_diffrn_reflns_theta_full        26.5
_diffrn_reflns_theta_max         26.5
_diffrn_reflns_theta_min         2.4
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.201
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.19
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         2348
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.19
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.042
_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^)+(0.0265P)^2^+7.5757P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.087
_refine_ls_wR_factor_ref         0.088
_reflns_number_gt                2243
_reflns_number_total             2348
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2592.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215957
_cod_database_fobs_code          2215957