Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate Pd(II) and Pt(II) complexes containing polyphosphines.
Fernández-Anca, Damián; García-Seijo, M Inés; García-Fernández, M Esther; Dalton transactions (Cambridge, England : 2003) 42 (2013) 10221–10232; doi:10.1039/c3dt32611j

data_7030087
_publ_section_title
;
 Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate
 Pd(II) and Pt(II) complexes containing polyphosphines.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10221
_journal_page_last               10232
_journal_paper_doi               10.1039/c3dt32611j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'C84 H84 O4 P8 Pt, C2 H6 O2 S, 2(Cl), 5.5(H2 O)'
_chemical_formula_sum            'C86 H101 Cl2 O10.5 P8 Pt S'
_chemical_formula_weight         1848.48
_chemical_name_systematic        '[Pt(PP(PO)2)2]Cl2\^A.DMSO\^A.5.5H2O'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                105.645(3)
_cell_angle_beta                 99.023(3)
_cell_angle_gamma                102.653(3)
_cell_formula_units_Z            1
_cell_length_a                   11.756(2)
_cell_length_b                   13.916(3)
_cell_length_c                   15.594(3)
_cell_measurement_reflns_used    948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.915
_cell_measurement_theta_min      2.415
_cell_volume                     2332.8(8)
_computing_cell_refinement       'SMART Software (Bruker, 1997)'
_computing_data_collection       'SMART Software (Bruker, 1997)'
_computing_data_reduction        'SAINT Software (Bruker, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Smart-CCD-1000 BRUKER'
_diffrn_measurement_method       '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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            27072
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.773
_exptl_absorpt_correction_T_max  0.9487
_exptl_absorpt_correction_T_min  0.6094
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             949
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.073
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         9519
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0383
_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^)+(0.0630P)^2^+1.5216P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                9023
_reflns_number_total             9519
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32611j.cif
_cod_data_source_block           13egac05
_cod_original_formula_sum        'C86 H101 Cl2 O10.50 P8 Pt S'
_cod_database_code               7030087