Reactivity of the bifunctional ambiphilic molecule 8-(dimesitylboryl)quinoline: hydrolysis and coordination to Cu(I), Ag(I) and Pd(II).
Son, Jung-Ho; Pudenz, Michael A.; Hoefelmeyer, James D.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 11081–11090; doi:10.1039/c0dt00798f

data_7026854
_publ_section_title
;
 Reactivity of the bifunctional ambiphilic molecule
 8-(dimesitylboryl)quinoline: hydrolysis and coordination to Cu(I), Ag(I)
 and Pd(II).
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11081
_journal_page_last               11090
_journal_paper_doi               10.1039/c0dt00798f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C28 H31 B N, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C30 H33 B Cl2 F3 N O3 S'
_chemical_formula_weight         626.34
_chemical_melting_point          479
_chemical_name_common
;8-(dimesitylboryl)-1-methylquinolinium triflate
dichloromethane solvate
;
_chemical_name_systematic
'8-(dimesitylboryl)-1-methylquinolinium triflate dichloromethane solvate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                89.985(2)
_cell_angle_beta                 76.034(2)
_cell_angle_gamma                88.216(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3454(18)
_cell_length_b                   13.054(3)
_cell_length_c                   14.304(3)
_cell_measurement_reflns_used    8938
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.52
_cell_volume                     1511.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14512
_diffrn_reflns_theta_full        25.37
_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         2.13
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker SMART APEXII'
_exptl_absorpt_coefficient_mu    0.335
_exptl_absorpt_correction_T_max  0.9209
_exptl_absorpt_correction_T_min  0.8721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             652
_exptl_crystal_recrystallization_method 'CH2Cl2 evaporation'
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         5505
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0414
_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^)+(0.0522P)^2^+1.3806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1158
_reflns_number_gt                4274
_reflns_number_total             5505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00798f.txt
_cod_data_source_block           8-(dimesitylboryl)-1-methylquinolinium-triflate
_cod_original_cell_volume        1511.4(6)
_cod_database_code               7026854