Exploring the Lewis basicity of the metalloligand [Pt2(μ-Se)2(PPh3)4] on metal substrates by electrospray mass spectrometry. Synthesis, characterization and structural studies of new platinum selenido phosphine complexes containing the {Pt2Se2} core
Jeremy S. L. Yeo; Jagadese J. Vittal; William Henderson; T. S. Andy Hor; J. Chem. Soc., Dalton Trans.  (2002) 328–336; doi:10.1039/b104996h

data_7010892
_publ_section_title
;
 Exploring the Lewis basicity of the metalloligand [Pt2(\m-Se)2(PPh3)4]
 on metal substrates by electrospray mass spectrometry. Synthesis,
 characterization and structural studies of new platinum selenido
 phosphine complexes containing the {Pt2Se2} core
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              328
_journal_page_last               336
_journal_paper_doi               10.1039/b104996h
_journal_year                    2002
_chemical_formula_sum            'C72 H62 Cl2 O8 P4 Pt2 Se2'
_chemical_formula_weight         1798.10
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.072(2)
_cell_angle_beta                 93.836(2)
_cell_angle_gamma                114.111(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8006(12)
_cell_length_b                   13.6942(12)
_cell_length_c                   24.217(2)
_cell_measurement_reflns_used    6822
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.3
_cell_measurement_theta_min      2.5
_cell_volume                     3713.3(6)
_computing_cell_refinement       'Bruker AXS, SAINT'
_computing_data_collection       'Bruker AXS, SMART'
_computing_data_reduction        'Bruker AXS, SAINT'
_computing_molecular_graphics    'Bruker AXS, SHELXTL'
_computing_publication_material  'Bruker AXS, SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_method       '\w 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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0924
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            30240
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    4.952
_exptl_absorpt_correction_T_max  0.5642
_exptl_absorpt_correction_T_min  0.3783
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'mulfaceted block, cut'
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         6.556
_refine_diff_density_min         -1.061
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       0.00023(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         13071
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0599
_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^)+(0.0800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1538
_reflns_number_gt                8875
_reflns_number_total             13071
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104996h.txt
_cod_data_source_block           1004
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010892