Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route
Kimura, Tsutomu; Uozumi, Yasuhiro; Organometallics 27 (2008) 5159–; doi:10.1021/om800666x

data_4072204
_publ_section_title
;
 Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the
 Ligand Introduction Route
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5159
_journal_paper_doi               10.1021/om800666x
_journal_volume                  27
_journal_year                    2008
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C20 H27 Cl N2 O2 Pd '
_chemical_formula_sum            'C20 H27 Cl N2 O2 Pd'
_chemical_formula_weight         469.30
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.754(4)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   12.4126(11)
_cell_length_b                   20.842(2)
_cell_length_c                   13.268(2)
_cell_measurement_reflns_used    10857
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3037.6(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9869
_diffrn_measured_fraction_theta_max 0.9893
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            47712
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.065
_exptl_absorpt_correction_T_max  0.808
_exptl_absorpt_correction_T_min  0.777
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1440.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.59
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     769
_refine_ls_number_reflns         7080
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0007Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0450
_reflns_number_gt                6546
_reflns_number_total             7092
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800666x_si_001.cif
_cod_data_source_block           '__iBuphebox'
_cod_original_cell_volume        3037.7(5)
_cod_original_formula_sum        'C20 H27 Cl N2 O2 Pd '
_cod_database_code               4072204