Reactivity of chiral diiminodiphosphine ligands towards PdCl2(PhCN)2: synthesis and crystal structures of two unexpected dinuclear palladium(II) complexes
Wong, Wai-Kwok; Zhang, Li-Lu; Chen, Yang; Wong, Wai-Yeung; Wong, Wing-Tak; Xue, Feng; Mak, Thomas C. W.; Journal of the Chemical Society, Dalton Transactions  (2000) 1397–; doi:10.1039/b001245i

data_7009465
_publ_contact_author
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    ENTER NAME
 ENTER ADDRESS
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_publ_section_title
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 Reactivity of chiral diiminodiphosphine ligands towards PdCl2(PhCN)2:
 synthesis and crystal structures of two unexpected dinuclear
 palladium(II) complexes
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1397
_journal_paper_doi               10.1039/b001245i
_journal_year                    2000
_chemical_formula_moiety         'C38 H30 Cl2 N2 P2 Pd2 '
_chemical_formula_sum            'C38 H30 Cl2 N2 P2 Pd2'
_chemical_formula_weight         860.32
_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             'Mon Mar 23 10:59:52 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 107.90(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.889(1)
_cell_length_b                   17.607(2)
_cell_length_c                   10.282(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1703.6(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
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       'MARResearch Image Plate scanner'
_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
_diffrn_orient_matrix_UB_21      0.00000
_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
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16020
_diffrn_reflns_theta_max         25.55
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_description       plate
_exptl_crystal_F_000             856.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.699
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         1755
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0468
_refine_ls_shift/esd_max         0.0130
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0362
_reflns_number_observed          1755
_reflns_number_total             2685
_reflns_observed_criterion       1.50
_cod_data_source_file            b001245i.txt
_cod_data_source_block           wtwong529-wywong018
_cod_depositor_comments
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The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 38 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C38 H30 Cl2 N2 P2 Pd2 '
_cod_database_code               7009465