Information card for entry 4072924

Structure parameters

• Formula: C58 H104 Fe K2 O12 Si6
• Calculated formula: C58 H104 Fe K2 O12 Si6
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si]([Si](C)(C)C)([Si](C)(C)C)[K]12349[O]%10CC[O]1CC[O]2CC[O]3CC[O]4CC[O]9CC%10)[cH]1[cH]5[c]6([Si]([Si](C)(C)C)([Si](C)(C)C)[K]23456[O]9CC[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC9)[cH]7[cH]81.c1ccccc1.c1ccccc1
• Title of publication: 1,1‘-Oligosilylferrocene Compounds
• Authors of publication: Wagner, Harald; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1762
• a: 23.402 ± 0.005 Å
• b: 11.5 ± 0.002 Å
• c: 28.474 ± 0.006 Å
• α: 90°
• β: 107.86 ± 0.03°
• γ: 90°
• Cell volume: 7294 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No