Information card for entry 4341264

Structure parameters

• Formula: H96 Hf11 N11 O98.5 S15
• Calculated formula: Hf11 N11 O98.5 S15
• SMILES: [Hf]12345([O]6[Hf]789%10([O]%11[Hf]%12%13([O]1[Hf]1%14%15%16([O]%17%18[Hf]%19%20%21%22%11([O]%11[Hf]%23%24%25%26([O]%27[Hf]%28%29%30%31([OH]%25)([O]%25[Hf]%326%18([OH][Hf]6%18%25(OS(=O)(=O)O6)([OH]%29)(OS(=O)(=O)O%28)OS(=O)(=O)O%18)([OH]7%20)([OH]4%15)[O]=S(O%14)(=O)O[Hf]%17%27([OH]%21%24)(OS(=O)(=O)O%31)(OS(=[O]%19)(=O)O1)(OS(=O)(=O)O%23)[OH]%30%32)[OH2])(OS(=O)(=O)O[Hf]14%11(OS(=O)(=O)O1)([OH]%26)(OS(=O)(O4)=O)[OH]%22)[OH2])[OH]%13%16)(OS(=O)(=O)O%12)OS(=O)(=O)O3)([OH2])([OH2])(OS(=O)(O%10)=O)[OH]58)(OS(=O)(=O)O9)OS(=O)(=O)O2)([OH2])[OH2].[NH4+].[NH4+].[NH4+].[NH4+].O.[NH4+].[NH4+].[NH4+].[NH4+].O.[NH4+].[NH4+].O.[NH4+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.
• Authors of publication: Kalaji, Ali; Soderholm, L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11252 - 11260
• a: 15.1165 ± 0.0008 Å
• b: 24.5806 ± 0.0013 Å
• c: 25.0808 ± 0.0013 Å
• α: 88.4626 ± 0.0008°
• β: 81.5081 ± 0.0008°
• γ: 87.5482 ± 0.0008°
• Cell volume: 9206.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No