Information card for entry 4071752

Structure parameters

• Formula: C54 H72 Fe2 O Si2
• Calculated formula: C54 H72 Fe2 O Si2
• SMILES: [c]12([cH]3[cH]4[Fe]5678913([cH]1[cH]6[cH]9[cH]8[cH]71)[cH]2[cH]45)[Si](c1c(cc(cc1C(C)C)C(C)C)C(C)C)=[Si]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1c(cc(cc1C(C)C)C(C)C)C(C)C.O1CCCC1
• Title of publication: 1,2-Bis(ferrocenyl)disilene: A Multistep Redox System with an SiSi Double Bond
• Authors of publication: Sasamori, Takahiro; Yuasa, Akihiro; Hosoi, Yoshinobu; Furukawa, Yukio; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3325
• a: 19.3619 ± 0.0007 Å
• b: 10.0596 ± 0.0003 Å
• c: 26.0871 ± 0.0008 Å
• α: 90°
• β: 106.274 ± 0.0013°
• γ: 90°
• Cell volume: 4877.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No