Information card for entry 4108864

Structure parameters

• Formula: C88.66667 H107.33333 Fe2 P4 Si4
• Calculated formula: C88.6667 H107.333 Fe2 P4 Si4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]12345([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)C#C[Si](C)([Si](C)(C)[Si](C)([Si](C)(C)C#C[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C)C)C)C)C)C.c1(ccccc1)C
• 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: 44.817 ± 0.003 Å
• b: 44.817 ± 0.003 Å
• c: 25.2047 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 50625 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No