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_4081316
_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         'C23 H20 N4 Pd2'
_chemical_formula_sum            'C23 H20 N4 Pd2'
_chemical_formula_weight         565.24
_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                 101.788(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.118(4)
_cell_length_b                   11.882(5)
_cell_length_c                   18.397(8)
_cell_measurement_reflns_used    3526
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      3.24
_cell_volume                     1951.1(15)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1043
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12855
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.862
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1112.00
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.480
_refine_diff_density_min         -1.830
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     282
_refine_ls_number_reflns         4341
_refine_ls_R_factor_gt           0.0803
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 1.0000\s(Fo^2^) + 2.0000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1340
_reflns_number_gt                1816
_reflns_number_total             4341
_reflns_threshold_expression     F>2.0\s(F)
_cod_data_source_file            om400557p_si_002.cif
_cod_data_source_block           complex6_Pd2(allyl)(qaam)
_cod_database_code               4081316