Information card for entry 4079199

Structure parameters

• Formula: C20 H34 Fe Si3
• Calculated formula: C20 H34 Fe Si3
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si](C)(C)[Si]([Si](C)(C)[c]15[cH]9[cH]8[cH]7[cH]61)(C(C)C)C(C)C
• Title of publication: Synthesis and Structure of New [3]Silametallocenophanes of Group 8 Metals
• Authors of publication: Braunschweig, Holger; Damme, Alexander; Hammond, Kai; Mager, Julian
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6317
• a: 18.704 ± 0.005 Å
• b: 13.274 ± 0.004 Å
• c: 8.821 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2190.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No