Information card for entry 1543877

Structure parameters

• Common name: (-)-Sparteinium tetrachloridozincate monohydrate
• Chemical name: (-)-7,15-Diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane-7,15-diium tetrachloridozincate monohydrate
• Formula: C15 H30 Cl4 N2 O Zn
• Calculated formula: C15 H30 Cl4 N2 O Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH+]12CCCC[C@@H]1[C@@H]1C[NH+]3CCCC[C@H]3[C@H](C2)C1.O
• Title of publication: ({-})-Sparteinium tetrachloridozincate monohydrate
• Authors of publication: Bernès, Sylvain; Gutiérrez, René; Hernández-Téllez, Guadalupe; Moreno, Gloria E.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161237
• a: 8.4549 ± 0.0006 Å
• b: 14.7691 ± 0.001 Å
• c: 16.3607 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2043 ± 0.2 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes