Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf
Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa; Journal of the American Chemical Society 126 (2004) 11802–11803; doi:10.1021/ja0460716

data_4112959
_publ_section_title
;
 Direct Observation of Oxidative Cyclization of \h2-Alkene and
 \h2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of
 Me3SiOTf
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11802
_journal_page_last               11803
_journal_paper_doi               10.1021/ja0460716
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C48 H86 O2 Ni2 P2 '
_chemical_formula_sum            'C48 H86 Ni2 O2 P2'
_chemical_formula_weight         874.55
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.009(3)
_cell_angle_beta                 78.037(6)
_cell_angle_gamma                67.813(1)
_cell_formula_units_Z            2
_cell_length_a                   10.393(1)
_cell_length_b                   10.421(1)
_cell_length_c                   24.059(2)
_cell_measurement_reflns_used    9712
_cell_measurement_temperature    273.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     2347.3(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.7248
_diffrn_measured_fraction_theta_max 0.7264
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.127
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            12382
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_description       block
_exptl_crystal_F_000             952.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.98
_refine_diff_density_min         -4.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.932
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     573
_refine_ls_number_reflns         3482
_refine_ls_R_factor_gt           0.1090
_refine_ls_shift/su_max          0.0570
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.2180
_reflns_number_gt                3482
_reflns_number_total             7840
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0460716si20040701_095629.cif
_cod_data_source_block           '_oka'
_cod_original_cell_volume        2347.2(4)
_cod_original_formula_sum        'C48 H86 O2 Ni2 P2 '
_cod_database_code               4112959