Information card for entry 2010944

Structure parameters

• Chemical name: p-Nitrobenzoato-triphenyl-tin
• Formula: C25 H19 N O4 Sn
• Calculated formula: C25 H19 N O4 Sn
• SMILES: [Sn]1(OC(=[O]1)c1ccc(N(=O)=O)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>p</i>-Nitrobenzoato)triphenyltin at 298K
• Authors of publication: Howie, R. Alan; Wardell, James L.; Wardell, Solange M.S.V.; Cox, Philip J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e179 - e180
• a: 8.949 ± 0.011 Å
• b: 14.302 ± 0.016 Å
• c: 17.53 ± 0.016 Å
• α: 94.89 ± 0.08°
• β: 83.79 ± 0.08°
• γ: 96.24 ± 0.09°
• Cell volume: 2211 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes