Conjugated Triarylboryl Donor-Acceptor Systems Supported by 2,2'-Bipyridine: Metal Chelation Impact on Intraligand Charger Transfer Emission, Electron Accepting Ability, and "Turn-on" Fluoride Sensing
Yi Sun; Suning Wang; Inorganic Chemistry 48 (2009) 3755–3767; doi:10.1021/ic9000335

data_4302011
_publ_section_title
;
Conjugated Triarylboryl Donor-Acceptor Systems Supported by
2,2'-Bipyridine: Metal Chelation Impact on Intraligand Charger Transfer
Emission, Electron Accepting Ability, and "Turn-on" Fluoride Sensing
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3755
_journal_page_last               3767
_journal_paper_doi               10.1021/ic9000335
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C46 H50 B2 Cl2 N2 Pt'
_chemical_formula_weight         918.49
_chemical_name_systematic
; 
 ? 
;
_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                 92.2670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8079(6)
_cell_length_b                   15.2811(11)
_cell_length_c                   15.4908(11)
_cell_measurement_temperature    180(2)
_cell_volume                     2083.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22763
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    3.530
_exptl_absorpt_correction_T_max  0.7655
_exptl_absorpt_correction_T_min  0.6195
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.723
_refine_diff_density_min         -3.664
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.293
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4548
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.293
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0823
_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^)+(0.0000P)^2^+24.1800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1740
_refine_ls_wR_factor_ref         0.1777
_reflns_number_gt                3935
_reflns_number_total             4548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9000335_si_001.cif
_cod_data_source_block           sun5a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302011