Bis(tetraphenylphosphonium) bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']zincate(II)
Pinto, Paula S.; Rubinger, Mayura M. M.; Guilardi, Silvana; Paixão, Drielly A.; Oliveira, Marcelo R. L.; Acta Crystallographica Section E 68 (2012) m33–m34; doi:10.1107/S160053681105207X

data_2233263
_publ_section_title
;
 Bis(tetraphenylphosphonium)
 bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2{-})-\k^2^<i>S</i>,<i>S</i>']zincate(II)
;
_journal_coeditor_code           PK2371
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m33
_journal_page_last               m34
_journal_paper_doi               10.1107/S160053681105207X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C24 H20 P)2 [Zn (C2 F3 N O2 S3)2]'
_chemical_formula_moiety         '2(C24 H20 P +), C4 F6 N2 O4 S6 Zn 2-'
_chemical_formula_sum            'C52 H40 F6 N2 O4 P2 S6 Zn'
_chemical_formula_weight         1190.53
_chemical_name_systematic
;
Bis(tetraphenylphosphonium)
bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2-)-
\k^2^<i>S</i>,<i>S</i>']zincate(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 93.5780(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.84610(10)
_cell_length_b                   29.1869(5)
_cell_length_c                   20.6963(3)
_cell_measurement_reflns_used    80040
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.91
_cell_volume                     5333.17(13)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0821
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            57739
_diffrn_reflns_reduction_process
;
 Scaled and merged with Sortav
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          0.422
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.123
_refine_diff_density_max         1.183
_refine_diff_density_min         -1.657
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         11977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0857
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0872P)^2^+2.4200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1689
_reflns_number_gt                8307
_reflns_number_total             11977
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            pk2371.cif
_cod_data_source_block           I
_cod_database_code               2233263
_cod_database_fobs_code          2233263