Information card for entry 2233694

Structure parameters

• Chemical name: Diaquadichloridomethylphenyltin(IV)‒ 1,4,7,10,13-pentaoxacyclopentadecane (1/1)
• Formula: C17 H32 Cl2 O7 Sn
• Calculated formula: C17 H32 Cl2 O7 Sn
• SMILES: [Sn](Cl)(Cl)([OH2])([OH2])(C)c1ccccc1.O1CCOCCOCCOCCOCC1
• Title of publication: Diaquadichloridomethylphenyltin(IV)‒1,4,7,10,13-pentaoxacyclopentadecane (1/1)
• Authors of publication: Vafaee, Marzieh; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m213
• a: 16.4338 ± 0.0003 Å
• b: 21.2112 ± 0.0004 Å
• c: 14.0347 ± 0.0003 Å
• α: 90°
• β: 113.325 ± 0.002°
• γ: 90°
• Cell volume: 4492.4 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes