Information card for entry 2208605

Structure parameters

• Chemical name: hexaaquairon(III) tris(perchlorate) trihydrate
• Formula: Cl3 Fe H18 O21
• Calculated formula: Cl3 Fe H18 O21
• SMILES: [OH2][Fe]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: Hexaaquairon(III) perchlorate trihydrate
• Authors of publication: Andreas Fischer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: i94 - i95
• a: 16.047 ± 0.002 Å
• b: 16.047 ± 0.002 Å
• c: 11.3561 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2532.5 ± 0.5 ų
• Cell temperature: 250 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.114
• 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: Yes