Dihalogeno(diphosphane)metal(II) complexes (metal = Co, Ni, Pd) as pre-catalysts for the vinyl/addition polymerization of norbornene – elucidation of the activation process with B(C6F5)3/AlEt3 or Ag[closo-1-CB11H12] and evidence for the in situ formation of “naked” Pd2+ as a highly active species
Lassahn, Paul-Gerhard; Lozan, Vasile; Wu, Biao; Weller, Andrew S.; Janiak, Christoph; Dalton Transactions  (2003) 4437–4450; doi:10.1039/b302937a

data_7012949
_publ_section_title
;
 Dihalogeno(diphosphane)metal(II) complexes (metal = Co, Ni, Pd) as
 pre-catalysts for the vinyl/addition polymerization of norbornene --
 elucidation of the activation process with B(C6F5)3/AlEt3 or
 Ag[closo-1-CB11H12] and evidence for the in situ formation of
 &#x201C;naked&#x201D; Pd2+ as a highly active species
;
_journal_coden_ASTM              DTARAF
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4437
_journal_page_last               4450
_journal_paper_doi               10.1039/b302937a
_journal_year                    2003
_chemical_formula_moiety         'Pd{Ph2P(CH2)3PPh2}(CB11H12), [CB11H12O0.22]'
_chemical_formula_sum            'C29 H50 B22 O0.22 P2 Pd'
_chemical_formula_weight         808.37
_chemical_name_systematic
; 
[(1,3-(diphenylphosphino)propane)palladium(II)-
1-carbadodecaboranyl][1-carbadodecaboranyl] 
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.1920(10)
_cell_angle_beta                 98.5030(10)
_cell_angle_gamma                107.0250(10)
_cell_formula_units_Z            2
_cell_length_a                   10.9600(8)
_cell_length_b                   11.4034(9)
_cell_length_c                   18.4232(14)
_cell_measurement_temperature    213(2)
_cell_volume                     2097.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker AXS CCD'
_diffrn_measurement_method       '\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  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19180
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    0.543
_exptl_absorpt_correction_T_max  0.9578
_exptl_absorpt_correction_T_min  0.9181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       isometric
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.152
_refine_diff_density_min         -1.241
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         9809
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                5954
_reflns_number_total             9809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302937a.txt
_cod_data_source_block           lass1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012949