Synthesis of Dinuclear (μ-η3-Allyl)palladium(I) and -platinum(I) Complexes Supported by Chelate-Bridging Ligands
Yamaguchi, Yu; Yamanishi, Katsunori; Kondo, Mitsuru; Tsukada, Naofumi; Organometallics 32 (2013) 4837–; doi:10.1021/om400557p

data_4081314
_publ_section_title
;
 Synthesis of Dinuclear (\m-\h3-Allyl)palladium(I) and -platinum(I)
 Complexes Supported by Chelate-Bridging Ligands
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4837
_journal_paper_doi               10.1021/om400557p
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C40 H34 N2 P2 Pd2'
_chemical_formula_sum            'C40 H34 N2 P2 Pd2'
_chemical_formula_weight         817.47
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.3160(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.5234(3)
_cell_length_b                   34.0570(11)
_cell_length_c                   10.7376(3)
_cell_measurement_reflns_used    12915
_cell_measurement_temperature    173
_cell_measurement_theta_max      31.39
_cell_measurement_theta_min      2.01
_cell_volume                     3286.58(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 14.222
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0733
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            38421
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.225
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1640.00
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.650
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7500
_refine_ls_number_restraints     108
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0271P)^2^+7.1246P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0835
_reflns_number_gt                7350
_reflns_number_total             7501
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om400557p_si_002.cif
_cod_data_source_block           complex2a_Pd2(allyl)(dpfam)
_cod_database_code               4081314