Information card for entry 7043356

Structure parameters

• Formula: C16 H12 O4 Sn
• Calculated formula: C16 H12 O4 Sn
• SMILES: [Sn](c1ccco1)(c1ccco1)(c1ccco1)c1ccco1
• Title of publication: Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands
• Authors of publication: Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.9577 ± 0.0002 Å
• b: 10.9577 ± 0.0002 Å
• c: 6.2808 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 754.14 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No