Information card for entry 4063398

Structure parameters

• Common name: 1',1'-ureylenedi(1'''-carboxylic acid methylester biferrocene)
• Chemical name: 1',1'-ureylenedi(1'''-carboxylic acid methylester biferrocene)
• Formula: C45 H40 Fe4 N2 O5
• Calculated formula: C45 H40 Fe4 N2 O5
• Title of publication: Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry
• Authors of publication: Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 313 - 327
• a: 11.6333 ± 0.0005 Å
• b: 12.4301 ± 0.0005 Å
• c: 13.7149 ± 0.0006 Å
• α: 81.649 ± 0.003°
• β: 81.282 ± 0.003°
• γ: 68.245 ± 0.002°
• Cell volume: 1812.1 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No