Information card for entry 1546889

Structure parameters

• Formula: C48 H70 B2 Ge2 N6
• Calculated formula: C48 H70 B2 Ge2 N6
• SMILES: [Ge]12([Ge]3(N(c4c(cccc4C)C)B(N3c3c(cccc3C)C)N(C(C)C)C(C)C)C(=C2C)C)N(c2c(cccc2C)C)B(N1c1c(cccc1C)C)N(C(C)C)C(C)C
• 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: 10.164 ± 0.0012 Å
• b: 21.9981 ± 0.0017 Å
• c: 23.169 ± 0.003 Å
• α: 90°
• β: 112.354 ± 0.012°
• γ: 90°
• Cell volume: 4791 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No