[<i>N</i>-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphine-κ<i>P</i>)nickel(II)
Novais, Celice; Guilardi, Silvana; Machado Jr, Iterlandes; Oliveira, Marcelo R. L.; Acta Crystallographica Section E 63 (2007) m1981–m1982; doi:10.1107/S1600536807029844

data_2214227
_publ_section_title
'[<i>N</i>-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2{-})-\k^2^<i>S</i>,<i>S</i>']bis(triphenylphosphine-\k<i>P</i>)nickel(II)'
_journal_coeditor_code           HB2442
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1981
_journal_page_last               m1982
_journal_paper_doi               10.1107/S1600536807029844
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni (C7 H3 Cl2 N O2 S3) (C18 H15 P)2]'
_chemical_formula_moiety         'C43 H33 Cl2 N Ni O2 P2 S3'
_chemical_formula_sum            'C43 H33 Cl2 N Ni O2 P2 S3'
_chemical_formula_weight         883.43
_chemical_name_systematic
;
[N-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2-)-
\k^2^S,S']bis(triphenylphosphine-\kP)nickel(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.4654(3)
_cell_length_b                   15.2416(2)
_cell_length_c                   28.8619(5)
_cell_measurement_reflns_used    41144
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.91
_cell_volume                     8123.0(2)
_computing_cell_refinement       SCALEPACK
_computing_data_collection       'COLLECT (Enraf--Nonius, 2000)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41274
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.844
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.384
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         9277
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.031
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0606P)^2^+0.6249P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                5597
_reflns_number_total             9277
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hb2442.cif
_cod_data_source_block           I
_cod_database_code               2214227
_cod_database_fobs_code          2214227