Probing the Lewis basicity of the metalloligand [Pt2(μ-Se)2(PPh3)4] on tin substrates by electrospray mass spectrometry
Yeo, Jeremy S. L.; Vittal, Jagadese J.; Henderson, William; Andy Hor, T. S.; Journal of the Chemical Society, Dalton Transactions  (2001) 315–; doi:10.1039/b006907h

data_7010209
_publ_section_title
;
 Probing the Lewis basicity of the metalloligand [Pt2(\m-Se)2(PPh3)4]
 on tin substrates by electrospray mass spectrometry
;
_journal_issue                   3
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              315
_journal_paper_doi               10.1039/b006907h
_journal_year                    2001
_chemical_formula_sum            'C79.5 H72.5 Cl12.5 F6 P5 Pt2 Se2 Sn'
_chemical_formula_weight         2406.64
_chemical_name_systematic
; 
 ? 
;
_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                69.018(1)
_cell_angle_beta                 84.323(1)
_cell_angle_gamma                86.547(1)
_cell_formula_units_Z            2
_cell_length_a                   14.4249(2)
_cell_length_b                   16.5335(2)
_cell_length_c                   21.0858(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.06
_cell_volume                     4670.70(11)
_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      203(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            32947
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    4.527
_exptl_absorpt_correction_T_max  0.8349
_exptl_absorpt_correction_T_min  0.6490
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'multifaceted block, cut'
_exptl_crystal_F_000             2330
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.36
_refine_diff_density_max         1.909
_refine_diff_density_min         -1.728
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     923
_refine_ls_number_reflns         15617
_refine_ls_number_restraints     777
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0695P)^2^+35.3238P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1433
_reflns_number_gt                13516
_reflns_number_total             15617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b006907h.txt
_cod_data_source_block           035
_cod_original_cell_volume        4670.7(1)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C79.50 H72.50 Cl12.50 F6 P5 Pt2 Se2 Sn'
_cod_database_code               7010209