Information card for entry 4085510

Structure parameters

• Formula: C10 H9 Cl Fe Si
• Calculated formula: C10 H9 Cl Fe Si
• SMILES: [Fe]123456789[c]%10([SiH](Cl)[c]%115[cH]6[cH]7[cH]8[cH]9%11)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: Tuning the Polymerization Behavior of Silicon-Bridged [1]Ferrocenophanes Using Bulky Substituents
• Authors of publication: Musgrave, Rebecca A.; Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 897
• a: 7.3059 ± 0.0007 Å
• b: 19.4204 ± 0.0017 Å
• c: 7.4875 ± 0.0008 Å
• α: 90°
• β: 117.912 ± 0.007°
• γ: 90°
• Cell volume: 938.77 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1251
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No