Information card for entry 7050975

Structure parameters

• Formula: C14 H15 Cr O5
• Calculated formula: C14 H15 Cr O5
• SMILES: [Cr]123456789%10([cH]%11[cH]1[cH]2[cH]3[cH]4[cH]5%11)[cH]1[cH]6[cH]7[cH]8[cH]9[cH]%101.C(=O)(C(=O)[O-])O.O
• Title of publication: The hydrogen oxalate anion allows one-dimensional columnar aggregation of organometallic sandwich cations
• Authors of publication: Braga, Dario; Eckert, Matthieu; Fraccastoro, Matteo; Maini, Lucia; Grepioni, Fabrizia; Caneschi, Andrea; Sessoli, Roberta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1280
• a: 6.778 ± 0.006 Å
• b: 17.963 ± 0.007 Å
• c: 11.03 ± 0.003 Å
• α: 90°
• β: 99.35 ± 0.04°
• γ: 90°
• Cell volume: 1325.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No