Syntheses of the novel cage compounds P3Se3C3But3 and P3Se4C3But3 and an unusual insertion reaction of [PtCl2(PMe3)] into the Se‒Se bond of the latter to give the six-coordinate Pt(iv) complex [PtCl2(PMe3)P3Se4C3But3]
Hitchcock, Peter B.; Nixon, John F.; Sakarya, Nurgün; Chemical Communications  (2000) 1745–; doi:10.1039/b005123n

data_7115120
_publ_section_title
;
 Syntheses of the novel cage compounds P3Se3C3But3 and P3Se4C3But3 and an
 unusual insertion reaction of [PtCl2(PMe3)] into the Se--Se bond of the
 latter to give the six-coordinate Pt(iv) complex [PtCl2(PMe3)P3Se4C3But3]
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              1745
_journal_paper_doi               10.1039/b005123n
_journal_year                    2000
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C18 H36 Cl2 P3 Pt1 Se4'
_chemical_formula_structural     'C18 H36 CL2 P3 PT SE4'
_chemical_formula_sum            'C18 H36 Cl2 P4 Pt Se4'
_chemical_formula_weight         958.18
_chemical_name_common            sep699
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location
ftp://ftp.iucr.org/cifdics/cif_core_2.1beta5.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1beta5
_audit_creation_date             1999-09-04T12:10:24-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   34.5455(6)
_cell_length_b                   34.5455(6)
_cell_length_c                   16.7221(2)
_cell_measurement_reflns_used    22280
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      4.076
_cell_measurement_wavelength     0.71073
_cell_volume                     17282.4(5)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor  1997)''
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor  1997)''
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia,  1997)''
_computing_publication_material
'WinGX publication routines (Farrugia,  1999)''
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'HELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41518
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         4.81
_exptl_absorpt_coefficient_mu    7.756
_exptl_absorpt_correction_T_max  0.227
_exptl_absorpt_correction_T_min  0.179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             8136
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.262
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       0.000022(6)
_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   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         10989
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0330P)^2^+94.1303P] where  P=(Fo^2^+2Fc^2^)/3''
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.095
_reflns_number_gt                7872
_reflns_number_total             10989
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b005123n.txt
_cod_data_source_block           JFN-7
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7115120