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_4115036
_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         'C25 H28 N P Pd '
_chemical_formula_sum            'C25 H28 N P Pd'
_chemical_formula_weight         479.88
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Fri Sep 15 15:15:00 2001'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.839(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.992(1)
_cell_length_b                   8.6350(3)
_cell_length_c                   17.599(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    183.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     4541.6(3)
_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
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_diffrn_orient_matrix_UB_22      0.00000
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_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
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_diffrn_radiation_type           MoKalpha
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_diffrn_reflns_av_R_equivalents  0.00
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_diffrn_reflns_limit_l_min       -22
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_diffrn_standards_decay_%        0.00
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
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_refine_ls_shift/esd_max         0.0007
_refine_ls_structure_factor_coef F
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_reflns_number_observed          2796
_reflns_number_total             5562
_reflns_observed_criterion       5.00
_cod_data_source_file            ja026584h_s2_3.cif
_cod_data_source_block           X-ray_Data_for_9.
_cod_original_cell_volume        4541.5(3)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C25 H28 N P Pd '
_cod_database_code               4115036