Water Addition to Alkynes Promoted by a Dicationic Platinum(II) Complex
Carlisle, Spring; Matta, Angel; Valles, Homer; Bracken, Jason B.; Miranda, Mayra; Yoo, Jinah; Hahn, Christine; Organometallics 30 (2011) 6446–; doi:10.1021/om2007908

data_4065430
_publ_section_title
;
 Water Addition to Alkynes Promoted by a Dicationic Platinum(II) Complex
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6446
_journal_paper_doi               10.1021/om2007908
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C33 H30 B F4 N O P2 Pt'
_chemical_formula_weight         800.42
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-08-19 # Formatted by publCIF
;
_cell_angle_alpha                99.766(8)
_cell_angle_beta                 100.042(8)
_cell_angle_gamma                97.953(8)
_cell_formula_units_Z            2
_cell_length_a                   9.1977(11)
_cell_length_b                   10.6882(12)
_cell_length_c                   16.4213(18)
_cell_measurement_reflns_used    935
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      61.26
_cell_measurement_theta_min      4.61
_cell_volume                     1542.9(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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      110(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'MWPC area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12365
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    9.937
_exptl_absorpt_correction_T_max  0.9072
_exptl_absorpt_correction_T_min  0.4365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'colorless '
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle    '
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.515
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         4212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0229
_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^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0540
_refine_ls_wR_factor_ref         0.0549
_reflns_number_gt                3854
_reflns_number_total             4212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2007908_si_002.cif
_cod_data_source_block           complex1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065430