C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt Complexes: Geometric Effects on Reactivity
Carl N. Iverson; Charles A. G. Carter; R. Tom Baker; John D. Scollard; Jay A. Labinger; John E. Bercaw; Journal of the American Chemical Society 125 (2003) 12674–12675; doi:10.1021/ja036511d

data_4114277
_publ_section_title
;
 C-H Bond Activation by Unsymmetrical 2-(N-Arylimino)pyrrolide Pt
 Complexes: Geometric Effects on Reactivity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12674
_journal_page_last               12675
_journal_paper_doi               10.1021/ja036511d
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C20 H24 N3 Pt'
_chemical_formula_weight         501.51
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.917(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   24.0988(18)
_cell_length_b                   11.5512(9)
_cell_length_c                   42.783(3)
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_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.4
_cell_volume                     11908.0(15)
_computing_cell_refinement       'Bruker SAINT v6.02'
_computing_data_collection       'Bruker SMART v5.606'
_computing_data_reduction        'Bruker SAINT v6.02'
_computing_publication_material  'Bruker SHELXTL v5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      98
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Bruker SMART 1000 ccd'
_diffrn_measurement_method       '\w scans at 5 fixed \f values'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -32
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_diffrn_reflns_limit_l_min       -57
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_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        'within counting statistics'
_diffrn_standards_interval_time  'first scans recollected at end of runs'
_exptl_absorpt_coefficient_mu    7.075
_exptl_absorpt_correction_T_max  0.462
_exptl_absorpt_correction_T_min  0.167
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'XPREP 6.09 beta'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_description       rhombic
_exptl_crystal_F_000             5832
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_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
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_refine_diff_density_min         -3.278
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.306
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/\s^2^(Fo^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0724
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja036511dsi20030610_081111.cif
_cod_data_source_block           cis-5d
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4114277