Triarylborane-appended new triad and tetrad: chromogenic and fluorogenic anion recognition.
P, Chinna Ayya Swamy; Thilagar, Pakkirisamy; Inorganic chemistry 53 (2014) 2776–2786; doi:10.1021/ic402898n

data_4337702
_publ_section_title
;
 Triarylborane-appended new triad and tetrad: chromogenic and fluorogenic
 anion recognition.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2776
_journal_page_last               2786
_journal_paper_doi               10.1021/ic402898n
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C63 H62 B3 F2 N3'
_chemical_formula_sum            'C63 H62 B3 F2 N3'
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_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                65.515(7)
_cell_angle_beta                 80.203(7)
_cell_angle_gamma                89.382(7)
_cell_formula_units_Z            2
_cell_length_a                   8.6613(14)
_cell_length_b                   18.601(3)
_cell_length_c                   19.603(4)
_cell_measurement_temperature    296(2)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0660
_diffrn_reflns_av_sigmaI/netI    0.0913
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            40940
_diffrn_reflns_theta_full        25.00
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_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_T_max  0.9868
_exptl_absorpt_correction_T_min  0.9802
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
;
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.161
_refine_diff_density_rms         0.035
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.754
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         9853
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.754
_refine_ls_R_factor_all          0.1471
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1642P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic402898n_si_002.cif
_cod_data_source_block           new
_cod_original_cell_volume        2825.9(9)
_cod_database_code               4337702