<i>catena</i>-Poly[[[bis[({-})-<i>O</i>-bornyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] chloroform disolvate]
Dakternieks, Dainis; Duthie, Andrew; Lai, Chian-Sing; Tiekink, Edward R. T.; Acta Crystallographica Section E 62 (2006) m3006–m3008; doi:10.1107/S1600536806042681

data_2211138
_publ_section_title
;<i>catena</i>-Poly[[[bis[({-})-<i>O</i>-bornyldithiocarbonato-\k^2^<i>S</i>,<i>S</i>']nickel(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 chloroform disolvate]
;
_journal_coeditor_code           NG2122
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3006
_journal_page_last               m3008
_journal_paper_doi               10.1107/S1600536806042681
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ni (C11 H17 O S2)2 (C10 H8 N2)], 2C H Cl3'
_chemical_formula_moiety         'C32 H42 N2 Ni O2 S4, 2C H Cl3'
_chemical_formula_sum            'C34 H44 Cl6 N2 Ni O2 S4'
_chemical_formula_weight         912.36
_chemical_name_systematic
;
catena-Poly[[[bis[(-)-O-bornyldithiocarbonato-\k^2^S,S']nickel(II)]-\m-4,4'-
bipyridine-\k^2^N:N'] chloroform disolvate]
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 109.297(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.739(2)
_cell_length_b                   11.3308(8)
_cell_length_c                   11.9635(9)
_cell_measurement_reflns_used    3355
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      2.5
_cell_volume                     4188.6(5)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.070
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17757
_diffrn_reflns_theta_full        30.1
_diffrn_reflns_theta_max         30.1
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.80
_refine_diff_density_min         -1.07
_refine_ls_abs_structure_details 'Flack (1983), 4996 Friedel pairs'
_refine_ls_abs_structure_Flack   0.020(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         11449
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.085
_refine_ls_R_factor_gt           0.059
_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^)+(0.0949P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.149
_refine_ls_wR_factor_ref         0.165
_reflns_number_gt                8532
_reflns_number_total             11449
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2122.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2211138
_cod_database_fobs_code          2211138