Information card for entry 2018037

Structure parameters

• Chemical name: Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]
• Formula: C4 H4 Cr O10 Rb
• Calculated formula: C4 H4 Cr O10 Rb
• SMILES: [Rb+].[Cr]12([OH2])([OH2])(OC(=O)C(=O)O1)OC(=O)C(=O)O2
• Title of publication: Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]: a new supramolecular isomer
• Authors of publication: Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m85 - m89
• a: 6.8506 ± 0.0001 Å
• b: 10.521 ± 0.001 Å
• c: 12.6995 ± 0.0002 Å
• α: 90°
• β: 98.773 ± 0.002°
• γ: 90°
• Cell volume: 904.61 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0198
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes