Kinetico-Mechanistic Studies on Intramolecular C‒X Bond Activation (X = Br, Cl) of Amino-Imino Ligands on Pt(II) Compounds. Prevalence of a Concerted Mechanism in Nonpolar, Polar, and Ionic Liquid Media
Calvet, Teresa; Crespo, Margarita; Font-Bardía, Mercè; Jansat, Susanna; Martínez, Manuel; Organometallics 31 (2012) 4367–; doi:10.1021/om300374f

data_4078594
_publ_section_title
;
 Kinetico-Mechanistic Studies on Intramolecular C--X Bond Activation (X =
 Br, Cl) of Amino-Imino Ligands on Pt(II) Compounds. Prevalence of a
 Concerted Mechanism in Nonpolar, Polar, and Ionic Liquid Media
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              4367
_journal_paper_doi               10.1021/om300374f
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C25 H28 Cl2 N2 Pt, 0.5(C2 H4 Cl4)'
_chemical_formula_sum            'C26 H30 Cl4 N2 Pt'
_chemical_formula_weight         707.41
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 128.322(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.277(4)
_cell_length_b                   13.065(3)
_cell_length_c                   20.035(5)
_cell_measurement_reflns_used    8254
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31
_cell_measurement_theta_min      3
_cell_volume                     2726.5(14)
_computing_cell_refinement       AUTOMAR
_computing_data_collection       MARXDS
_computing_data_reduction        MARSCALE
_computing_molecular_graphics    'ORTEP (Brueggermann and Smith, 1990)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device_type  'Mr345 with image plate detector'
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27210
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.29
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    5.556
_exptl_absorpt_correction_T_max  0.57
_exptl_absorpt_correction_T_min  0.52
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.987
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       0.00381(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         8164
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0330
_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^)+(0.0397P)^2^+3.1962P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                7489
_reflns_number_total             8164
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300374f_si_002.cif
_cod_data_source_block           mcpm134a1
_cod_original_cell_volume        2726.5(12)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4078594