Palladium(ii) salts containing [PdCl4]2‒ and [Pd2Cl6]2‒ ions as pre-catalysts for the vinyl-polymerization of norbornene—evidence for the in situ formation of PdCl2 as the active speciesElectronic supplementary information (ESI) available: full 1H, 13C, 19F and 31P NMR and IR data of compounds 2C, 6 and 7 in combination with different amounts of B(C6F5). See http://www.rsc.org/suppdata/dt/b2/b209633a/
Lassahn, Paul-Gerhard; Lozan, Vasile; Janiak, Christoph; Dalton Transactions  (2003) 927–; doi:10.1039/b209633a

data_7012288
_publ_section_title
;
 Palladium(ii) salts containing [PdCl4]2-- and [Pd2Cl6]2-- ions as
 pre-catalysts for the vinyl-polymerization of norbornene---evidence
 for the in situ formation of PdCl2 as the active speciesElectronic
 supplementary information (ESI) available: full 1H, 13C, 19F and 31P
 NMR and IR data of compounds 2C, 6 and 7 in combination with different
 amounts of B(C6F5). See http://www.rsc.org/suppdata/dt/b2/b209633a/
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              927
_journal_paper_doi               10.1039/b209633a
_journal_year                    2003
_chemical_formula_sum            'C42 H40 Cl6 O2 P2 Pd2'
_chemical_formula_weight         1064.22
_chemical_name_common
acetonyltriphenylphosphonium-hexachlorodipalladate(ii)
_chemical_name_systematic
; 
acetonyltriphenylphosphonium-hexachlorodipalladate(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.088(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7372(11)
_cell_length_b                   21.764(2)
_cell_length_c                   11.8070(10)
_cell_measurement_temperature    203(2)
_cell_volume                     2186.6(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker 1997a)'
_computing_data_reduction        'SAINT (Bruker 1997b)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement
'SHELXL97, SHELXTL-Plus (Sheldrick, 1997; Sheldrick, 1998)'
_computing_structure_solution
'SHELXS97, SHELXTL-Plus (Sheldrick, 1997; Sheldrick, 1998)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker AXS CCD'
_diffrn_measurement_method       \f-\w-scan
_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  0.0719
_diffrn_reflns_av_sigmaI/netI    0.1057
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13845
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  0.9380
_exptl_absorpt_correction_T_min  0.6417
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orangebrown
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.056
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    calc
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         5333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0285P)^2^+4.4770P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                2732
_reflns_number_total             5333
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b209633a.txt
_cod_data_source_block           plam
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7012288