Blue-shifted aggregation-induced enhancement of a Sn(iv) fluoride complex: the role of fluorine in luminescence enhancement.
Ki, Wooseok; Ngo, Kathleen; Ghosh, Phalguni; Averkiev, Boris; Reeves, Gordan T.; Ailes, Isaiah; Pemberton, Barry C.; Zhu, Kun; Li, Jing; Chemical communications (Cambridge, England) 56 (2020) 9648–9650; doi:10.1039/d0cc03635h

data_7126889
_publ_section_title
;
 Blue-shifted aggregation-induced enhancement of a Sn(iv) fluoride
 complex: the role of fluorine in luminescence enhancement.
;
_journal_issue                   67
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9648
_journal_page_last               9650
_journal_paper_doi               10.1039/d0cc03635h
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C18 H12 F2 N2 O2 Sn'
_chemical_formula_sum            'C18 H12 F2 N2 O2 Sn'
_chemical_formula_weight         444.99
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_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-05-21 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   13.5862(9)
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_cell_measurement_temperature    293(2)
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_computing_data_collection       'CrysAlisPro 1.171.40.43a (Rigaku OD, 2019)'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
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_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0426
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_number            6917
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
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_diffrn_reflns_theta_max         27.995
_diffrn_reflns_theta_min         2.850
_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.40.43a (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_description       Prism
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0295
_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^)+(0.0440P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0708
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1735
_reflns_number_total             1977
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03635h2.cif
_cod_data_source_block           KN1-3B
_cod_depositor_comments          'Adding full bibliography for 7126889.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7126889
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              72887
_shelx_hkl_checksum              882