Information card for entry 2017756

Structure parameters

• Common name: Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate
• Chemical name: Bis(adamantan-1-aminium) tetrachloridozincate(II)‒1,4,7,10,13,16-hexaoxacyclooctadecane‒water (1/1/1)
• Formula: C32 H62 Cl4 N2 O7 Zn
• Calculated formula: C32 H62 Cl4 N2 O7 Zn
• SMILES: O1CCOCCOCCOCCOCCOCC1.[NH3+]C12CC3CC(C2)CC(C1)C3.[NH3+]C12CC3CC(CC(C3)C1)C2.[Zn](Cl)(Cl)([Cl-])[Cl-].O
• Title of publication: Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate
• Authors of publication: Zhao, Min Min; Qu, Zhi Rong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m215 - m217
• a: 26.9702 ± 0.0012 Å
• b: 11.4912 ± 0.0007 Å
• c: 24.9646 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7737 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes