Information card for entry 1574263

Structure parameters

• Formula: C106 H140 B Cl Ge2 O2
• Calculated formula: C106 H140 B Cl Ge2 O2
• SMILES: [Ge@]12(OC3C(=C[Ge@@](c4c(cccc4c4c(cc(C(C)C)cc4C(C)C)C(C)C)c4c(cc(cc4C(C)C)C(C)C)C(C)C)(c4cccc5c4Oc4c1cccc4C5(C)C)[B@@]2=3Cl)c1ccccc1)c1c(cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.C(CC)CC.C(CC)CC.[Ge@@]12(OC3C(=C[Ge@](c4c(cccc4c4c(cc(C(C)C)cc4C(C)C)C(C)C)c4c(cc(cc4C(C)C)C(C)C)C(C)C)(c4cccc5c4Oc4c1cccc4C5(C)C)[B@]2=3Cl)c1ccccc1)c1c(cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.C(CC)CC.C(CC)CC
• Title of publication: Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion
• Authors of publication: Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7759 - 7765
• a: 19.5707 ± 0.0006 Å
• b: 18.9384 ± 0.0006 Å
• c: 26.3009 ± 0.0008 Å
• α: 90°
• β: 107.021 ± 0.002°
• γ: 90°
• Cell volume: 9321.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No