Information card for entry 1546888

Structure parameters

• Formula: C58 H74 B2 Ge2 N6
• Calculated formula: C58 H74 B2 Ge2 N6
• SMILES: [Ge]12([Ge]3(N(c4c(cccc4C)C)B(N3c3c(C)cccc3C)N(C(C)C)C(C)C)C(=C2c2ccccc2)c2ccccc2)N(B(N1c1c(C)cccc1C)N(C(C)C)C(C)C)c1c(C)cccc1C
• Title of publication: Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study
• Authors of publication: Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 12339 - 12353
• a: 19.659 ± 0.002 Å
• b: 10.841 ± 0.0008 Å
• c: 28.649 ± 0.004 Å
• α: 90°
• β: 114.791 ± 0.01°
• γ: 90°
• Cell volume: 5543.1 ± 1.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No