Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)
Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa; Journal of the American Chemical Society 125 (2003) 9020–9021; doi:10.1021/ja0361042

data_4113992
_publ_section_title
;
 Synthesis, Structure, and Reactivity of a \h3-1-Hydroxyallyl Complex:
 Protonation of an \a,\b-Unsaturated Carbonyl Compound Bound to
 Palladium(0) and Platinum(0)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9020
_journal_page_last               9021
_journal_paper_doi               10.1021/ja0361042
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C40 H35 F3 O4 P2 Pd S'
_chemical_formula_weight         837.12
_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'
_cell_angle_alpha                90
_cell_angle_beta                 103.656(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8091(5)
_cell_length_b                   18.3006(7)
_cell_length_c                   17.807(1)
_cell_measurement_reflns_used    29751
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.2
_cell_volume                     3739.5(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 8.00
_diffrn_measured_fraction_theta_full 0.9777
_diffrn_measured_fraction_theta_max 0.9777
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.28
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.437
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     460
_refine_ls_number_reflns         4477
_refine_ls_R_factor_gt           0.0700
_refine_ls_shift/su_max          0.0153
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
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_cod_data_source_block           morita3
_cod_original_cell_volume        3739.6(3)
_cod_original_formula_sum        'C40 H35 F3 O4 P2 Pd S '
_cod_database_code               4113992