Information card for entry 2019201

Structure parameters

• Chemical name: 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate
• Formula: C10 H22 Cl4 N2 Zn
• Calculated formula: C10 H22 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH+]1(C2CCCCC2)CC[NH2+]CC1
• Title of publication: The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate
• Authors of publication: Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1304 - 1306
• a: 11.3673 ± 0.0002 Å
• b: 9.5997 ± 0.0002 Å
• c: 28.6571 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3127.14 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No