Reaction ofN-Isopropyl-N-phenyl-2,2′-bipyridin-6-amine with K2PtCl4: Selective C‒H Bond Activation, C‒N Bond Cleavage, and Selective Acylation
Carroll, Jeffrey; Gagnier, Joshua P.; Garner, Alexander W.; Moots, Justin G.; Pike, Robert D.; Li, Yumin; Huo, Shouquan; Organometallics 32 (2013) 4828–; doi:10.1021/om400540y

data_4081313
_publ_section_title
;
 Reaction ofN-Isopropyl-N-phenyl-2,2&#x2032;-bipyridin-6-amine with
 K2PtCl4: Selective C--H Bond Activation, C--N Bond Cleavage, and
 Selective Acylation
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4828
_journal_paper_doi               10.1021/om400540y
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C26.50 H20 Cl N3 O Pt'
_chemical_formula_sum            'C26.5 H20 Cl N3 O Pt'
_chemical_formula_weight         627.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.2730(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.5338(6)
_cell_length_b                   8.0506(2)
_cell_length_c                   19.1014(4)
_cell_measurement_reflns_used    9832
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.45
_cell_measurement_theta_min      3.03
_cell_volume                     4487.39(17)
_computing_cell_refinement       'SAINTPLUS (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2004)'
_computing_data_reduction        SAINTPLUS
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'XSHELL (Bruker, 2004)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       '\w and \y'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23539
_diffrn_reflns_theta_full        66.98
_diffrn_reflns_theta_max         66.98
_diffrn_reflns_theta_min         4.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.989
_exptl_absorpt_correction_T_max  0.1694
_exptl_absorpt_correction_T_min  0.0969
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.868
_refine_diff_density_min         -1.321
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         3980
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0395P)^2^+25.1056P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                3925
_reflns_number_total             3980
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400540y_si_001.cif
_cod_data_source_block           compound10
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C26.50 H20 Cl N3 O Pt'
_cod_database_code               4081313