Alkyne Insertion into the Pt−H Bond of Pt(H)(1-pentene)(β-diiminate) Initiates a Reaction Cascade That Results in C−H Activation or C−C Coupling
West, Nathan M.; White, Peter S.; Templeton, Joseph L.; Organometallics 27 (2008) 5252–; doi:10.1021/om800521x

data_4072017
_publ_section_title
;
 Alkyne Insertion into the Pt&#x2212;H Bond of
 Pt(H)(1-pentene)(\b-diiminate) Initiates a Reaction Cascade That Results
 in C&#x2212;H Activation or C&#x2212;C Coupling
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5252
_journal_paper_doi               10.1021/om800521x
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C23 H26 Cl2 N2 O Pt Si'
_chemical_formula_sum            'C23 H26 Cl2 N2 O Pt Si'
_chemical_formula_weight         640.54
_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                 91.486(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6224(5)
_cell_length_b                   9.5550(4)
_cell_length_c                   20.1223(8)
_cell_measurement_reflns_used    9885
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.98
_cell_measurement_theta_min      3.50
_cell_volume                     2426.07(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24550
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         69.51
_diffrn_reflns_theta_min         3.50
_exptl_absorpt_coefficient_mu    13.451
_exptl_absorpt_correction_T_max  0.5528
_exptl_absorpt_correction_T_min  0.1339
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'APEX2 Numerical plus SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.059
_refine_diff_density_min         -1.088
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4485
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0298P)^2^+3.3327P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0615
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                4212
_reflns_number_total             4485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800521x_si_002.cif
_cod_data_source_block           c08350
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4072017