Bis(μ-<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato-<i>S</i>:<i>S</i>')bis[(<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato-<i>S</i>,<i>S</i>')zinc(II)]
Baba, Ibrahim; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng; Acta Crystallographica Section E 57 (2001) m51–m52; doi:10.1107/S1600536800020390

data_2200069
_publ_section_title
Bis(\m-<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato-<i>S</i>:<i>S</i>')bis[(<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato-<i>S</i>,<i>S</i>')zinc(II)]
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m51
_journal_page_last               m52
_journal_paper_doi               10.1107/S1600536800020390
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '(C6 H12 N S2)4, Zn2'
_chemical_formula_moiety         'C24 H48 N4 S8 Zn2'
_chemical_formula_sum            'C24 H48 N4 S8 Zn2'
_chemical_formula_weight         779.88
_chemical_name_systematic
;
Bis(\m-N-ethyl-N-isopropyldithiocarbamato-S:S')-
bis[(N-ethyl-N-isopropyldithiocarbamato-S,S')zinc(II)]
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.4190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.86460(10)
_cell_length_b                   15.05170(10)
_cell_length_c                   11.29340(10)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.3
_cell_volume                     1810.26(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .984
_diffrn_measured_fraction_theta_max .984
_diffrn_measurement_device_type  'Siemens CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0605
_diffrn_reflns_av_sigmaI/netI    .0591
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12713
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    1.81
_exptl_absorpt_correction_T_max  .613
_exptl_absorpt_correction_T_min  .477
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          .48
_exptl_crystal_size_mid          .44
_exptl_crystal_size_min          .30
_refine_diff_density_max         .677
_refine_diff_density_min         -.619
_refine_ls_extinction_coef       .0330(10)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .972
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         4432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .972
_refine_ls_R_factor_all          .045
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0463P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .094
_reflns_number_gt                3629
_reflns_number_total             4432
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            na6030.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2200069
_cod_database_fobs_code          2200069