Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes
Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa; Journal of the American Chemical Society 128 (2006) 4377–4388; doi:10.1021/ja0576740

data_4110494
_publ_section_title
;
 Stereoretentive Elimination and Trans-olefination of the Dicationic
 Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4377
_journal_page_last               4388
_journal_paper_doi               10.1021/ja0576740
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C36 H34 B2 F8 O Pd2'
_chemical_formula_weight         869.07
_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'
_audit_creation_date             'Mon Apr 28 03:21:43 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                72.4075(5)
_cell_angle_beta                 90.278(1)
_cell_angle_gamma                81.7435(7)
_cell_formula_units_Z            4
_cell_length_a                   14.4348(3)
_cell_length_b                   14.8652(4)
_cell_length_c                   16.9596(4)
_cell_measurement_reflns_used    16132
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.3
_cell_volume                     3428.48(14)
_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    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9826
_diffrn_measured_fraction_theta_max 0.9826
_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  0.022
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32134
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_exptl_absorpt_coefficient_mu    1.122
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.67
_refine_diff_density_min         -1.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.123
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     892
_refine_ls_number_reflns         9836
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.2101
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
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_reflns_number_gt                9836
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja0576740si20051110_101334.cif
_cod_data_source_block           nakacy
_cod_original_cell_volume        3428.5(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C36 H34 B2 F8 O Pd2 '
_cod_database_code               4110494