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_7012951
_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)2PPh2}2, 2[ClB(C6F5)3], 4CH2Cl2'
_chemical_formula_sum            'C92 H56 B2 Cl10 F30 P4 Pd'
_chemical_formula_weight         2337.77
_chemical_name_systematic
; 
[Bis(1,2-(diphenylphosphino)ethane)palladium(II)]-
di[chloro-tris(pentafluorophenyl)borate]-
tetrakis methylene chloride 
;
_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                103.811(4)
_cell_angle_beta                 104.192(4)
_cell_angle_gamma                91.833(4)
_cell_formula_units_Z            1
_cell_length_a                   10.909(3)
_cell_length_b                   14.192(3)
_cell_length_c                   16.104(4)
_cell_measurement_temperature    213(2)
_cell_volume                     2336.4(10)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker AXS CCD diffractometer'
_diffrn_measurement_method       '\w 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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18052
_diffrn_reflns_theta_full        25.56
_diffrn_reflns_theta_max         25.56
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  0.9491
_exptl_absorpt_correction_T_min  0.8629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       isometric
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         8734
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0454
_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^)+(0.0546P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1135
_reflns_number_gt                5827
_reflns_number_total             8734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302937a.txt
_cod_data_source_block           l3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_cell_volume        2336.2(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012951