Information card for entry 7050974

Structure parameters

• Formula: C24 H33 Fe O8
• Calculated formula: C24 H31 Fe O8
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C.O=C(C(=O)[O-])[O-].OC(=O)C(=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: 7.688 ± 0.003 Å
• b: 16.539 ± 0.005 Å
• c: 9.8 ± 0.006 Å
• α: 90°
• β: 96.75 ± 0.04°
• γ: 90°
• Cell volume: 1237.5 ± 1 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No