Ring Expansion of a Platinacyclopropane to a Platinacyclopentane by Double Insertion of Isocyanides into Pt−C Bonds
Tsuchiya, Kazuhiro; Kondo, Hideo; Nagashima, Hideo; Organometallics 26 (2007) 1044–; doi:10.1021/om0608713

data_4072607
_publ_section_title
;
 Ring Expansion of a Platinacyclopropane to a Platinacyclopentane by
 Double Insertion of Isocyanides into Pt&#x2212;C Bonds
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1044
_journal_paper_doi               10.1021/om0608713
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C24 H18 N6 Pd '
_chemical_formula_sum            'C24 H18 N6 Pd'
_chemical_formula_weight         496.85
_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                60.100(9)
_cell_angle_beta                 77.100(11)
_cell_angle_gamma                79.420(12)
_cell_formula_units_Z            2
_cell_length_a                   7.9700(13)
_cell_length_b                   12.2700(19)
_cell_length_c                   13.2300(19)
_cell_measurement_reflns_used    3749
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1089.3(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.961
_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  0.028
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8897
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             500.00
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4780
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0006Fo^2^ + 1.0450\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                4353
_reflns_number_total             4790
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0608713si20061201_121449.cif
_cod_data_source_block           '__complex2'
_cod_original_formula_sum        'C24 H18 N6 Pd '
_cod_database_code               4072607