Information card for entry 2203349

Structure parameters

• Formula: C24 H30 Cl2 N6 O12 Zn
• Calculated formula: C24 H30 Cl2 N6 O12 Zn
• SMILES: [Zn](Cl)(Cl)(OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1.[NH2+]1CCCCC1.[NH2+]1CCCCC1
• Title of publication: Bis(piperidinium) <i>trans</i>-dichlorobis(3,5-dinitrobenzoato)zincate(II)
• Authors of publication: Elguja B. Miminoshvili; Alexandre N. Sobolev; Ketevan E. Miminoshvili; Tamara N. Sakvarelidze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m319 - m321
• a: 9.786 ± 0.003 Å
• b: 10.55 ± 0.004 Å
• c: 15.603 ± 0.005 Å
• α: 97.04 ± 0.02°
• β: 91.47 ± 0.02°
• γ: 94.66 ± 0.02°
• Cell volume: 1592.4 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes