Information card for entry 4083242

Structure parameters

• Formula: C53 H71 Fe2 Ge2 Se
• Calculated formula: C53 H71 Fe2 Ge2 Se
• Title of publication: 1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit
• Authors of publication: Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3904
• a: 15.9906 ± 0.0001 Å
• b: 16.97 ± 0.0001 Å
• c: 18.3 ± 0.0001 Å
• α: 90°
• β: 98.6806 ± 0.0002°
• γ: 90°
• Cell volume: 4909.01 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No