Information card for entry 2108902

Structure parameters

• Formula: C4 H8 Na O12 Rh
• Calculated formula: C4 H8 Na O12 Rh
• SMILES: [Rh]12([OH2])([OH2])(OC(=O)C(=O)O1)OC(=[O]1)C(O2)=[O][Na]12([OH2])([OH2])[O]=C(O1)C(=[O]2)O[Rh]21([OH2])([OH2])OC(=[O]1)C(O2)=[O][Na]1([OH2])[OH2]
• Title of publication: Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid
• Authors of publication: Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 1048 - 1054
• a: 5.2554 ± 0.0002 Å
• b: 6.4584 ± 0.0002 Å
• c: 8.2102 ± 0.0002 Å
• α: 97.796 ± 0.001°
• β: 92.099 ± 0.001°
• γ: 112.113 ± 0.001°
• Cell volume: 254.612 ± 0.014 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0157
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes