Information card for entry 7050978

Structure parameters

• Formula: C23 H32 Fe O6
• Calculated formula: C23 H32 Fe O6
• 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: 8.97 ± 0.002 Å
• b: 9.976 ± 0.004 Å
• c: 13.019 ± 0.005 Å
• α: 103.08 ± 0.04°
• β: 95.36 ± 0.03°
• γ: 99.83 ± 0.02°
• Cell volume: 1107.5 ± 0.7 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No