The first palladium(II) complexes containing arsino(phosphino)methanes as ligands †
Schmidt, Ulrich; Ilg, Kerstin; Werner, Helmut; Journal of the Chemical Society, Dalton Transactions  (2000) 1005–; doi:10.1039/b001237h

data_7009460
_publ_section_title
;
 The first palladium(II) complexes containing arsino(phosphino)methanes
 as ligands&#x200A;&#x2020;
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1005
_journal_paper_doi               10.1039/b001237h
_journal_year                    2000
_chemical_formula_sum            'C65 H88 As2 B Cl3 F24 P2 Pd2'
_chemical_formula_weight         1867.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.46(8)
_cell_angle_beta                 96.69(8)
_cell_angle_gamma                101.79(8)
_cell_formula_units_Z            2
_cell_length_a                   14.487(9)
_cell_length_b                   17.323(11)
_cell_length_c                   17.554(12)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.23
_cell_volume                     3892(6)
_computing_cell_refinement       'IPDS (Stoe)'
_computing_data_collection       'IPDS (Stoe)'
_computing_data_reduction        'IPDS (Stoe)'
_computing_molecular_graphics    'Zortep (Zsolnai)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'IPDS (Stoe)'
_diffrn_measurement_method       phi-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38138
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.545
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
no absorption correction
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.063
_refine_diff_density_min         -0.064
_refine_diff_density_rms         0.007
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.840
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1028
_refine_ls_number_reflns         12934
_refine_ls_number_restraints     636
_refine_ls_restrained_S_all      0.880
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.150
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0409P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                7671
_reflns_number_total             12934
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b001237h.txt
_cod_data_source_block           8
_cod_original_cell_volume        3892(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009460