Information card for entry 2010971

Structure parameters

• Formula: Cr H48 I Mo6 Na2 O48
• Calculated formula: Cr I Mo6 Na2 O48
• SMILES: [I]12345[O]6[Mo]78([O]5[Mo]5([O]4[Mo]4([O]3[Mo]3([O]2[Mo]2([O]1[Mo]6(O2)(O8)(=O)=O)(=O)(O3)=O)(=O)(=O)O4)(=O)(=O)O5)(=O)(O7)=O)(=O)=O.[Cr]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Disodium chromium(III) hexamolybdoiodate(VII) 24-hydrate, Na~2~Cr[IMo~6~O~24~]·24H~2~O
• Authors of publication: Rosu, Cristina; Weakley, Timothy J. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e170 - e171
• a: 10.3829 ± 0.0007 Å
• b: 14.0871 ± 0.0012 Å
• c: 14.9994 ± 0.0014 Å
• α: 90°
• β: 102.931 ± 0.009°
• γ: 90°
• Cell volume: 2138.3 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections: 1.86
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes