Novel heterobimetallic thiocarboxylato complexes: synthesis, characterization and application as single source precursor for ternary chalcogenides.
Chaturvedi, Jyotsna; Bhattacharya, Subrato; Prasad, Rajendra; Dalton transactions (Cambridge, England : 2003) 39 (2010) 8725–8732; doi:10.1039/c0dt00210k

data_7026120
_publ_section_title
;
 Novel heterobimetallic thiocarboxylato complexes: synthesis,
 characterization and application as single source precursor for ternary
 chalcogenides.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8725
_journal_page_last               8732
_journal_paper_doi               10.1039/c0dt00210k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C60 H51 Cu O4 P2 Pb S3'
_chemical_formula_weight         1264.91
_chemical_name_common
;bis(triphenylphosphine)copper bis(muthiobenzoato)lead
thiobenzoate
;
_chemical_name_systematic
;
?
;
_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'
_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                 107.065(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0477(15)
_cell_length_b                   13.0335(12)
_cell_length_c                   26.548(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.3
_cell_volume                     5308.2(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            34210
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         27.77
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    3.794
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange-yellow
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.36
_refine_diff_density_max         2.030
_refine_diff_density_min         -2.068
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         13027
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0466P)^2^+53.5732P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1644
_reflns_number_gt                9209
_reflns_number_total             13027
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00210k.txt
_cod_data_source_block           25octb
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C60 H51 Cu O4 P2 Pb S3 '
_cod_database_code               7026120