Synthesis of and Structural Studies on Lead(II) Cysteamin Complexes
Holger Fleischer; Dieter Schollmeyer; Inorganic Chemistry 43 (2004) 5529–5536; doi:10.1021/ic0498889

data_4311552
_publ_section_title
;
 Synthesis of and Structural Studies on Lead(II) Cysteamin Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5529
_journal_page_last               5536
_journal_paper_doi               10.1021/ic0498889
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C8 H24 Cl2 N4 Pb3 S4'
_chemical_formula_weight         997.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.9210(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.0942(15)
_cell_length_b                   5.8958(4)
_cell_length_c                   17.8169(13)
_cell_measurement_reflns_used    4718
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.8
_cell_volume                     2095.4(3)
_computing_cell_refinement       Saint
_computing_data_collection       SAINT
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare, 1994)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       'CCD Scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9050
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         2.89
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    24.696
_exptl_absorpt_correction_T_max  0.122
_exptl_absorpt_correction_T_min  0.022
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'MULABS Spek'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.160
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.710
_refine_diff_density_min         -1.486
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     98
_refine_ls_number_reflns         2577
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0349P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0641
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                2240
_reflns_number_total             2577
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0498889si20040128_082240_1.cif
_cod_data_source_block           Pbcys1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4311552