Bis(μ-diethyldithiocarbamato)-1κ<i>S</i>,1:2κ^2^<i>S</i>';2κ<i>S</i>,1:2κ^2^<i>S</i>'-bis(ethylzinc)
Malik, M. A.; O'Brien, P.; Motevalli, M.; Acta Crystallographica Section C 52 (1996) 1931–1933; doi:10.1107/S0108270196002831

data_2005251
_publ_section_title
Bis(\m-diethyldithiocarbamato)-1\k<i>S</i>,1:2\k^2^<i>S</i>';2\k<i>S</i>,1:2\k^2^<i>S</i>'-bis(ethylzinc)
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1931
_journal_page_last               1933
_journal_paper_doi               10.1107/S0108270196002831
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Zn (C2 H5) (C5 H10 N1 S2)]2'
_chemical_formula_sum            'C14 H30 N2 S4 Zn2'
_chemical_formula_weight         485.38
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90
_cell_angle_beta                 92.44(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.605(3)
_cell_length_b                   9.877(2)
_cell_length_c                   7.569(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      12
_cell_volume                     1090.9(3)
_computing_cell_refinement       CAD4/PC
_computing_data_collection       'CAD4/PC (Enraf-Nonius, 1993)'
_computing_data_reduction        CAD4/PC
_computing_molecular_graphics    'PLUTON (Spek, 1993)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4 4-circle'
_diffrn_measurement_method       2\q/\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  0.0082
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2577
_diffrn_reflns_theta_max         26.98
_diffrn_reflns_theta_min         2.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.579
_exptl_absorpt_correction_T_max  0.9850
_exptl_absorpt_correction_T_min  0.970
_exptl_absorpt_correction_type   '\y scan (North, Philips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       'transparent rhombic'
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.713
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.024
_refine_ls_goodness_of_fit_obs   1.138
_refine_ls_hydrogen_treatment    'H atoms riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         2382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_restrained_S_obs      1.138
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_obs          0.0337
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(F~o~^2^)+(0.0619P)^2^]
where P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0918
_refine_ls_wR_factor_obs         0.0886
_reflns_number_observed          1820
_reflns_number_total             2382
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            hu1091.cif
_cod_data_source_block           mam50
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2005251