Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl Complexes: Selection of Catalysts for the α-Arylation of Nitriles
Darcy A. Culkin; John F. Hartwig; Journal of the American Chemical Society 124 (2002) 9330–9331; doi:10.1021/ja026584h

data_4115035
_publ_section_title
;
 Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl
 Complexes: Selection of Catalysts for the \a-Arylation of Nitriles
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9330
_journal_page_last               9331
_journal_paper_doi               10.1021/ja026584h
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C36 H55 Fe N P2 Pd '
_chemical_formula_sum            'C36 H55 Fe N P2 Pd'
_chemical_formula_weight         726.03
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Oct 19 15:33:56 2001'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 97.737(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3398(5)
_cell_length_b                   16.7219(4)
_cell_length_c                   14.9078(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    183.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     3542.18(18)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      183.2
_diffrn_measurement_device       unknown
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
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_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
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_diffrn_reflns_av_R_equivalents  0.00
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -20
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_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.210
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_refine_ls_extinction_method     none
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_refine_ls_shift/esd_max         0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          6951
_reflns_number_total             10619
_reflns_observed_criterion       5.00
_cod_data_source_file            ja026584h_s2_2.cif
_cod_data_source_block           X-ray_data_for_6.
_cod_original_cell_volume        3542.2(2)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C36 H55 Fe N P2 Pd '
_cod_database_code               4115035