A Cationic AgI(PNPtBu) Species Acting as PNP Transfer Agent: Facile Synthesis of Pd(PNPtBu)(alkyl) Complexes and Their Reactivity Compared to PCPtBuAnalogues
van der Vlugt, Jarl Ivar; Siegler, Maxime A.; Janssen, Michèle; Vogt, Dieter; Spek, Anthony L.; Organometallics 28 (2009) 7025–; doi:10.1021/om900862w

data_4070492
_publ_section_title
;
 A Cationic AgI(PNPtBu) Species Acting as PNP Transfer Agent: Facile
 Synthesis of Pd(PNPtBu)(alkyl) Complexes and Their Reactivity Compared to
 PCPtBuAnalogues
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7025
_journal_paper_doi               10.1021/om900862w
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C24 H46 N P2 Pd, B F4'
_chemical_formula_sum            'C24 H46 B F4 N P2 Pd'
_chemical_formula_weight         603.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.286(2)
_cell_angle_beta                 75.810(2)
_cell_angle_gamma                89.144(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7663(3)
_cell_length_b                   12.3413(3)
_cell_length_c                   15.6865(4)
_cell_measurement_reflns_used    22958
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.75
_cell_volume                     1377.23(8)
_computing_cell_refinement       'PEAKREF (Schreurs, 2005)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EVALCCD (Duisenberg et al., 2003)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF08 (Beurskens et al., 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33036
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         6316
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0201P)^2^+1.0692P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0528
_reflns_number_gt                5629
_reflns_number_total             6316
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om900862w_si_002.cif
_cod_data_source_block           Comp-4
_cod_database_code               4070492