Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes
Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki; Materials Chemistry Frontiers 1 (2017) 1573–; doi:10.1039/C7QM00076F

data_1553665
_publ_section_title
;
 Control of aggregation-induced emission versus fluorescence
 aggregation-caused quenching by bond existence at a single site in boron
 pyridinoiminate complexes
;
_journal_issue                   8
_journal_name_full               'Materials Chemistry Frontiers'
_journal_page_first              1573
_journal_paper_doi               10.1039/C7QM00076F
_journal_volume                  1
_journal_year                    2017
_chemical_formula_sum            'C19 H13 B F2 N2'
_chemical_formula_weight         318.12
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2017-02-17 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   11.5433(11)
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_cell_measurement_reflns_used    9963
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      55.10
_cell_measurement_theta_min      6.12
_cell_volume                     1419.3(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
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_diffrn_measurement_device_type  goniometer
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0600
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_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
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_diffrn_reflns_theta_min         3.061
_exptl_absorpt_coefficient_mu    0.106
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_exptl_crystal_description       equiaxed
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_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3230
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_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0627
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1037P)^2^+0.2460P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7qm00076f2.cif
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_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.989
_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              86490
_shelx_hkl_checksum              13852