Information card for entry 4083244

Structure parameters

• Formula: C25 H32 Br2 Fe Ge
• Calculated formula: C25 H32 Br2 Fe Ge
• SMILES: [Ge](Br)(Br)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)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: 10.4736 ± 0.0004 Å
• b: 11.123 ± 0.0006 Å
• c: 11.1532 ± 0.0005 Å
• α: 95.465 ± 0.002°
• β: 104.884 ± 0.003°
• γ: 97.034 ± 0.003°
• Cell volume: 1235.36 ± 0.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No