Information card for entry 2010727

Structure parameters

• Chemical name: 1,2R,3,4S,5-pentaammonio-pentane trichloride tetrachlorozinkate - hydrate
• Formula: C5 H24 Cl7 N5 O Zn
• Calculated formula: C5 H24 Cl7 N5 O Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].[Cl-].[NH3+]C[C@@H]([NH3+])C([NH3+])[C@@H]([NH3+])C[NH3+].O
• Title of publication: Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks
• Authors of publication: Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 284 - 288
• a: 7.255 ± 0.004 Å
• b: 10.893 ± 0.006 Å
• c: 12.173 ± 0.006 Å
• α: 107.49 ± 0.04°
• β: 91.52 ± 0.04°
• γ: 96.67 ± 0.04°
• Cell volume: 909.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No