Synthesis and Characterization of Platinasilsesquioxane Complexes and Their Reaction with Arylboronic Acid
Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro; Organometallics 30 (2011) 187–; doi:10.1021/om100880h

data_4063718
_publ_section_title
;
 Synthesis and Characterization of Platinasilsesquioxane Complexes and
 Their Reaction with Arylboronic Acid
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              187
_journal_paper_doi               10.1021/om100880h
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C53 H55 N4 O3 Pt2 '
_chemical_formula_sum            'C53 H55 N4 O3 Pt2'
_chemical_formula_weight         1186.22
_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'
_cell_angle_alpha                97.145(4)
_cell_angle_beta                 91.049(3)
_cell_angle_gamma                106.634(5)
_cell_formula_units_Z            2
_cell_length_a                   9.201(3)
_cell_length_b                   15.417(5)
_cell_length_c                   16.392(5)
_cell_measurement_reflns_used    5262
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2207.1(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.922
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16044
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    6.356
_exptl_absorpt_correction_T_max  0.280
_exptl_absorpt_correction_T_min  0.153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1162.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.84
_refine_diff_density_min         -2.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     614
_refine_ls_number_reflns         6967
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0011Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1137
_reflns_number_gt                6921
_reflns_number_total             9307
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100880h_si_001.cif
_cod_data_source_block           complex3
_cod_original_cell_volume        2207.0(11)
_cod_original_formula_sum        'C53 H55 N4 O3 Pt2 '
_cod_database_code               4063718