Information card for entry 4083247

Structure parameters

• Formula: C59 H81 Fe2 Ge2
• Calculated formula: C59 H81 Fe2 Ge2
• SMILES: [Ge]1([Ge](c2c(C(C)C)cc(C(C)C)cc2C(C)C)([c]23[cH]4[Fe]56789%102([cH]([cH]46)[cH]35)[cH]2[cH]%10[cH]7[cH]9[cH]82)c2c(cc(cc2C(C)C)C(C)C)C(C)C)([c]23[cH]4[Fe]56789%102([cH]2[cH]8[cH]5[cH]9[cH]%102)[cH]4[cH]6[cH]37)CC(=C(C1)C)C.C(C)CCCC
• 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: 12.8918 ± 0.0005 Å
• b: 18.9669 ± 0.0008 Å
• c: 23.1098 ± 0.001 Å
• α: 72.853 ± 0.002°
• β: 76.859 ± 0.004°
• γ: 79.692 ± 0.003°
• Cell volume: 5220 ± 0.4 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: 0.1852
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No