A Unique Functional Group Transformation of Planar Chiral Diolefinic Organonitrogen Cycles Utilizing PtCl2(2,4,6-trimethylpyridine) Complexes
Tomooka, Katsuhiko; Shimada, Maki; Uehara, Kazuhiro; Ito, Masato; Organometallics 29 (2010) 6632–; doi:10.1021/om1009704

data_4067243
_publ_section_title
;
 A Unique Functional Group Transformation of Planar Chiral Diolefinic
 Organonitrogen Cycles Utilizing PtCl2(2,4,6-trimethylpyridine) Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6632
_journal_paper_doi               10.1021/om1009704
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C23 H30 Cl2 N2 O2 Pt S'
_chemical_formula_sum            'C23 H30 Cl2 N2 O2 Pt S'
_chemical_formula_weight         664.56
_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
_cell_angle_alpha                80.77(5)
_cell_angle_beta                 82.94(5)
_cell_angle_gamma                68.10(3)
_cell_formula_units_Z            2
_cell_length_a                   8.029(8)
_cell_length_b                   13.059(13)
_cell_length_c                   13.179(13)
_cell_measurement_reflns_used    4558
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.06
_cell_volume                     1263(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9996
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.851
_exptl_absorpt_correction_T_max  0.310
_exptl_absorpt_correction_T_min  0.173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         3.090
_refine_diff_density_min         -2.020
_refine_ls_extinction_coef       59(12)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     314
_refine_ls_number_reflns         5532
_refine_ls_R_factor_gt           0.0920
_refine_ls_shift/su_max          0.026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1850
_reflns_number_gt                5517
_reflns_number_total             5532
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om1009704_si_001.cif
_cod_data_source_block           '__4a'
_cod_original_cell_volume        1263(3)
_cod_database_code               4067243