Information card for entry 2010495

Structure parameters

• Formula: C6 H6 Cl2 Na2 O7
• Calculated formula: C6 H6 Cl2 Na2 O7
• SMILES: C1(Cl)=C(C(=C(C(=O)C1=O)Cl)[O-])[O-].[Na+].O.[Na+].O.O
• Title of publication: Sodium Chloranilate Trihydrate
• Authors of publication: Benchekroun, R.; Savariault, J.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 186 - 188
• a: 8.46 ± 0.001 Å
• b: 6.559 ± 0.001 Å
• c: 9.798 ± 0.008 Å
• α: 92.05 ± 0.05°
• β: 106.72 ± 0.05°
• γ: 92.46 ± 0.05°
• Cell volume: 519.6 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.027
• Goodness-of-fit parameter for significantly intense reflections: 2.23
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No