<i>anti</i>-Bis(μ-2-ammonioethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[dichloropalladium(II)] dihydrate
Miyashita, Yoshitaro; Arai, Satoshi; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi; Acta Crystallographica Section C 57 (2001) 1393–1394; doi:10.1107/S0108270101015736

data_2012386
_publ_section_title
;<i>anti</i>-Bis(\m-2-ammonioethanethiolato-\k^2^<i>S</i>:<i>S</i>)bis[dichloropalladium(II)]
 dihydrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1393
_journal_page_last               1394
_journal_paper_doi               10.1107/S0108270101015736
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Pd2 Cl4 (C2 H7 N S)2], 2H2 O'
_chemical_formula_moiety         'C4 H14 Cl4 N2 Pd2 S2, 2H2 O'
_chemical_formula_sum            'C4 H18 Cl4 N2 O2 Pd2 S2'
_chemical_formula_weight         544.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.680(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4490(10)
_cell_length_b                   8.941(3)
_cell_length_c                   11.984(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.1
_cell_measurement_theta_min      11.2
_cell_volume                     797.8(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       'WinAFC (Rigaku Corporation, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full .5153
_diffrn_measured_fraction_theta_max .5153
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .063
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            1970
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        .08
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.174
_exptl_absorpt_correction_T_max  .776
_exptl_absorpt_correction_T_min  .729
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          .150
_exptl_crystal_size_mid          .100
_exptl_crystal_size_min          .080
_refine_diff_density_max         1.11
_refine_diff_density_min         -1.05
_refine_ls_extinction_coef       .0034(9)
_refine_ls_extinction_method
'Zachariasen (1967), type 2, Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   .969
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     74
_refine_ls_number_reflns         1833
_refine_ls_R_factor_gt           .0437
_refine_ls_shift/su_max          .0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + {0.03[max(Fo^2^,0) + 2Fc^2^]/3}^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1082
_reflns_number_gt                982
_reflns_number_total             1833
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            oa1118.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2012386
_cod_database_fobs_code          2012386