Formation of Chelated Counteranions Using Lewis Acidic Diboranes: Relevance to Isobutene Polymerization
Chai, Jianfang; Lewis, Stewart P.; Collins, Scott; Sciarone, Timo J. J.; Henderson, Lee D.; Chase, Preston A.; Irvine, Geoffrey J.; Piers, Warren E.; Elsegood, Mark R. J.; Clegg, William; Organometallics 26 (2007) 5667–; doi:10.1021/om700672q

data_4073847
_publ_section_title
;
 Formation of Chelated Counteranions Using Lewis Acidic Diboranes:&#x00A0;
 Relevance to Isobutene Polymerization
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5667
_journal_paper_doi               10.1021/om700672q
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C19 H15 +,C30 B2 F20 N3 -,C H2 Cl2'
_chemical_formula_sum            'C50 H17 B2 Cl2 F20 N3'
_chemical_formula_weight         1132.19
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 91.987(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.975(4)
_cell_length_b                   10.9235(11)
_cell_length_c                   21.671(2)
_cell_measurement_reflns_used    6659
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      28.49
_cell_measurement_theta_min      2.15
_cell_volume                     8984.2(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'thin-slice \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37471
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.54
_diffrn_reflns_theta_min         1.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.271
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4496
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         10539
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0417
_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^)+(0.0476P)^2^+8.8485P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.1097
_reflns_number_gt                7248
_reflns_number_total             10539
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om700672q-file003.cif
_cod_data_source_block           wp22_compound_4f
_cod_original_cell_volume        8984.4(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4073847