Information card for entry 4108863

Structure parameters

• Formula: C40 H45 Fe P2 Si
• Calculated formula: C40 H45 Fe P2 Si
• Title of publication: Redox-Active Organometallics: Magnetic and Electronic Couplings through Carbon-Silicon Hybrid Molecular Connectors
• Authors of publication: Paul Hamon; Frederic Justaud; Olivier Cador; Philippe Hapiot; Stéphane Rigaut; Loïc Toupet; Lahcène Ouahab; Harald Stueger; Jean-René Hamon; Claude Lapinte
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17372 - 17383
• a: 8.4917 ± 0.0002 Å
• b: 11.2276 ± 0.0003 Å
• c: 19.7051 ± 0.0006 Å
• α: 96.163 ± 0.001°
• β: 97.129 ± 0.001°
• γ: 103.888 ± 0.001°
• Cell volume: 1791.26 ± 0.08 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 293 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No