Information card for entry 4083248

Structure parameters

• Formula: C31 H42 Fe Ge
• Calculated formula: C31 H42 Fe Ge
• SMILES: [Ge]1(CC(=C(C1)C)C)([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
• 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: 9.1574 ± 0.0003 Å
• b: 9.8986 ± 0.0002 Å
• c: 16.11 ± 0.0004 Å
• α: 74.4417 ± 0.0009°
• β: 75.488 ± 0.002°
• γ: 80.8159 ± 0.0013°
• Cell volume: 1355.21 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No