Information card for entry 7051825

Structure parameters

• Formula: C112 H82 Fe4 N8 O20 S5
• Calculated formula: C112 H82 Fe4 N8 O20 S5
• 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: 9.2235 ± 0.0006 Å
• b: 9.5841 ± 0.0006 Å
• c: 28.3262 ± 0.0018 Å
• α: 92.599 ± 0.001°
• β: 98.53 ± 0.001°
• γ: 104.326 ± 0.001°
• Cell volume: 2390.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No