Information card for entry 2225851

Structure parameters

• Chemical name: <i>fac</i>-Aqua(2-carboxyethyl-κ^2^<i>C</i>,<i>O</i>)trichloridotin(IV)‒ 1,4,7,10,13-pentaoxacyclopentadecane‒water (1/1/2)
• Formula: C13 H31 Cl3 O10 Sn
• Calculated formula: C13 H31 Cl3 O10 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)[O]=C(O)CC1.O1CCOCCOCCOCCOCC1.O.O.O
• Title of publication: <i>fac</i>-Aqua(2-carboxyethyl-κ^2^<i>C</i>,<i>O</i>)trichloridotin(IV)‒1,4,7,10,13-pentaoxacyclopentadecane‒water (1/1/2)
• Authors of publication: Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m496 - m497
• a: 7.2193 ± 0.0002 Å
• b: 29.6516 ± 0.0013 Å
• c: 10.3871 ± 0.0005 Å
• α: 90°
• β: 91.857 ± 0.002°
• γ: 90°
• Cell volume: 2222.33 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes