Information card for entry 7715574

Structure parameters

• Formula: C20 H16 F2 N2 O2 Sn
• Calculated formula: C20 H16 F2 N2 O2 Sn
• SMILES: [Sn]12(F)(F)(Oc3cccc4c3[n]1c(cc4)C)Oc1cccc3c1[n]2c(cc3)C
• Title of publication: New type of tin(IV) complex based turn-on fluorescent chemosensor for fluoride ion recognition: elucidating the effect of molecular structure on sensing property.
• Authors of publication: Wu, Andrew; Hillesheim, Patrick C.; Nelson, Peter N.; Zeller, Matthias; Carignan, Gia; Li, Jing; Ki, Daniel W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6932 - 6940
• a: 7.7896 ± 0.0005 Å
• b: 9.5538 ± 0.0005 Å
• c: 13.4786 ± 0.0008 Å
• α: 70.205 ± 0.003°
• β: 75.54 ± 0.003°
• γ: 66.973 ± 0.003°
• Cell volume: 860.61 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No