Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands
Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don; Organometallics 25 (2006) 1801–; doi:10.1021/om0600902

data_4075178
_publ_section_title
;
 Stoichiometric and Catalytic Arene Activations by Platinum Complexes
 Containing Bidentate Monoanionic Nitrogen-Based Ligands
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1801
_journal_paper_doi               10.1021/om0600902
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C15.5 H14 Cl3 N2 Pt'
_chemical_formula_weight         529.74
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.447(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.614(3)
_cell_length_b                   15.956(2)
_cell_length_c                   9.241(1)
_cell_measurement_reflns_used    2804
_cell_measurement_temperature    138.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      2.5
_cell_volume                     2979.1(7)
_computing_data_reduction        SAINT
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_max 0.9764
_diffrn_measurement_device_type  SMART
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2571
_diffrn_reflns_theta_full        24.68
_diffrn_reflns_theta_max         24.68
_exptl_absorpt_coefficient_mu    9.913
_exptl_absorpt_correction_T_max  0.410
_exptl_absorpt_correction_T_min  0.184
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocklike
_exptl_crystal_F_000             2000.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.00
_refine_diff_density_min         -1.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.228
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     198
_refine_ls_number_reflns         1893
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.0049
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0371
_reflns_number_gt                1893
_reflns_number_total             2478
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om0600902si20060127_023204.cif
_cod_data_source_block           Karshtedt's_N2PT
_cod_original_cell_volume        2979.2(6)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C15.50 H14 Cl3 N2 Pt '
_cod_database_code               4075178