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_4075177
_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            'C21 H17 N3 Pt'
_chemical_formula_weight         506.48
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Wed Jun 15 12:09:12 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 93.410(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.295(2)
_cell_length_b                   26.794(6)
_cell_length_c                   12.618(3)
_cell_measurement_reflns_used    4501
_cell_measurement_temperature    133.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      2.0
_cell_volume                     3474.4(13)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9631
_diffrn_measured_fraction_theta_max 0.9631
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15281
_diffrn_reflns_theta_full        24.72
_diffrn_reflns_theta_max         24.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.052
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.334
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelike
_exptl_crystal_F_000             1936.00
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.045
_refine_diff_density_max         1.30
_refine_diff_density_min         -2.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.368
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     451
_refine_ls_number_reflns         4151
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.0005
_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_all         0.0474
_refine_ls_wR_factor_ref         0.0422
_reflns_number_gt                4151
_reflns_number_total             5710
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om0600902si20060127_023138.cif
_cod_data_source_block           Dmitriy_Karshtedt_N2ligand
_cod_original_cell_volume        3474(1)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C21 H17 N3 Pt '
_cod_database_code               4075177