Information card for entry 7714583

Structure parameters

• Formula: C16 H20 F6 N2 O6 Sn
• Calculated formula: C16 H20 F6 N2 O6 Sn
• SMILES: c1(O)ccc(cc1)[C@H]([NH3+])C(=O)O.F[Sn](F)([F-])(F)(F)[F-].c1(O)ccc(cc1)[C@H]([NH3+])C(=O)O
• Title of publication: Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.
• Authors of publication: Jung, Ahyung; Li, Yang; Ok, Kang Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 105 - 114
• a: 13.4225 ± 0.0004 Å
• b: 7.5081 ± 0.0002 Å
• c: 10.2706 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1035.05 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No