Information card for entry 4083249

Structure parameters

• Formula: C50 H64 Fe2 Ge2 O2
• Calculated formula: C50 H64 Fe2 Ge2 O2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Ge]1(O[Ge]([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)(O1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)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: 9.2367 ± 0.0002 Å
• b: 10.9748 ± 0.0002 Å
• c: 11.4772 ± 0.0002 Å
• α: 99.579 ± 0.0008°
• β: 97.8753 ± 0.0009°
• γ: 93.8906 ± 0.0019°
• Cell volume: 1131.51 ± 0.04 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: 0.0264
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No