Information card for entry 7051823

Structure parameters

• Formula: C28 H22 Fe N2 O4
• Calculated formula: C28 H22 Fe N2 O4
• SMILES: [Fe]12345678([cH]9[c]4([cH]3[cH]2[cH]19)c1ccncc1)[cH]1[c]8([cH]7[cH]6[cH]51)c1ccncc1.O=C(O)c1ccc(C(=O)O)cc1
• Title of publication: Mechanochemical assembly of hybrid organic‒organometallic materials. Solid‒solid reactions of 1,1′-di-pyridyl-ferrocene with organic acids
• Authors of publication: Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Palladino, Giuseppe; Polito, Marco
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 820
• a: 27.395 ± 0.018 Å
• b: 8.934 ± 0.007 Å
• c: 21.507 ± 0.015 Å
• α: 90°
• β: 121.29 ± 0.04°
• γ: 90°
• Cell volume: 4498 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No