New type of tin(IV) complex based turn-on fluorescent chemosensor for fluoride ion recognition: elucidating the effect of molecular structure on sensing property.
Wu, Andrew; Hillesheim, Patrick C.; Nelson, Peter N.; Zeller, Matthias; Carignan, Gia; Li, Jing; Ki, Daniel W.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 6932–6940; doi:10.1039/d4dt00461b

data_7715575
_publ_section_title
;
 New type of tin(IV) complex based turn-on fluorescent chemosensor for
 fluoride ion recognition: elucidating the effect of molecular structure
 on sensing property.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6932
_journal_page_last               6940
_journal_paper_doi               10.1039/d4dt00461b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C20 H16 Cl0.67 F1.33 N2 O2 Sn'
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_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2023-12-12 deposited with the CCDC.	2024-03-28 downloaded from the CCDC.
;
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;  
SHELXL-2018/3 (Sheldrick, 2015a, 2018), 
SHELXLE Rev1385 (H\"ubschle et al., 2011)
;
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'PhotonIII_C14 charge-integrating and photon counting pixel array'
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'four circle diffractometer'
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_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'laterally graded multilayer (Goebel) mirror'
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_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            52440
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         79.903
_diffrn_reflns_theta_min         3.372
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_source_current           '1.0 mA'
_diffrn_source_voltage           '50 kV'
_exptl_absorpt_coefficient_mu    12.578
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_exptl_absorpt_correction_T_min  0.5932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       fragment
_exptl_crystal_F_000             958
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.821
_refine_diff_density_min         -1.427
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3870
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0442
_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
'w=1/[\s^2^(Fo^2^)+8.1949P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0909
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3618
_reflns_number_total             3870
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00461b2.cif
_cod_data_source_block           AWI_86B_0m
_cod_depositor_comments
'Adding full bibliography for 7715574--7715575.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7715575
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.178
_shelx_estimated_absorpt_t_max   0.314
_shelx_res_checksum              34835