Information card for entry 4085079

Structure parameters

• Formula: C63 H62 F24 Ge2 N2 O8
• Calculated formula: C63 H62 F24 Ge2 N2 O8
• SMILES: [Ge]12([Ge]34(c5ccc(cc5C(C(F)(F)F)(C(F)(F)F)O3)C)c3ccc(cc3C(O4)(C(F)(F)F)C(F)(F)F)C)(c3ccc(cc3C(O1)(C(F)(F)F)C(F)(F)F)C)c1ccc(cc1C(O2)(C(F)(F)F)C(F)(F)F)C.[N+](C)(C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.CC(=O)C.O.O.O
• Title of publication: Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms
• Authors of publication: Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 56
• a: 19.519 ± 0.017 Å
• b: 15.046 ± 0.012 Å
• c: 24.98 ± 0.02 Å
• α: 90°
• β: 110.579 ± 0.005°
• γ: 90°
• Cell volume: 6868 ± 10 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No