Information card for entry 2225323

Structure parameters

• Chemical name: <i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)aquatrichloridotin(IV)‒\ 1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)
• Formula: C18 H40 Cl6 N2 O10 Sn2
• Calculated formula: C18 H40 Cl6 N2 O10 Sn2
• SMILES: C1CC(N)=[O][Sn]1(Cl)(Cl)(Cl)[OH2].C1OCCOCCOCCOCCOCCOC1.C1CC(N)=[O][Sn]1(Cl)(Cl)(Cl)[OH2]
• Title of publication: <i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)aquatrichloridotin(IV) 1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)
• Authors of publication: Wardell, Solange M. S. V.; Harrison, William T. A.; Tiekink, Edward R. T.; de Lima, Geraldo M.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m312 - m313
• a: 10.126 ± 0.0002 Å
• b: 10.0893 ± 0.0003 Å
• c: 15.8229 ± 0.0004 Å
• α: 90°
• β: 105.814 ± 0.002°
• γ: 90°
• Cell volume: 1555.35 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.043
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes