Information card for entry 4070624

Structure parameters

• Formula: C22 H38 Fe Si2
• Calculated formula: C22 H38 Fe Si2
• SMILES: [Fe]12345678([CH]9=[CH]1C2([Si](C)(C)C)[CH]3=[CH]4C9(C)C)[CH]1=[CH]5C6([Si](C)(C)C)[CH]7=[CH]8C1(C)C
• Title of publication: Synthetic, Structural, and Electrochemical Studies of Edge-Bridged Open Ferrocenes
• Authors of publication: Chong, Daesung; Geiger, William E.; Davis, Nathan A.; Weisbrich, Anke; Shi, Yifan; Arif, Atta M.; Ernst, Richard D.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 430
• a: 21.7527 ± 0.0012 Å
• b: 11.3266 ± 0.0007 Å
• c: 21.7446 ± 0.0011 Å
• α: 90°
• β: 118.717 ± 0.003°
• γ: 90°
• Cell volume: 4698.6 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No