Information card for entry 1546886

Structure parameters

• Formula: C68 H92 B2 Fe Ge2 N6
• Calculated formula: C62 H78 B2 Fe Ge2 N6
• SMILES: [Ge]12([Ge]3(N(c4c(cccc4C)C)B(N3c3c(C)cccc3C)N(C(C)C)C(C)C)C(=C1[c]13[cH]4[Fe]56789%101([cH]1[cH]%10[cH]8[cH]7[cH]51)[cH]4[cH]6[cH]39)c1ccccc1)N(B(N2c1c(cccc1C)C)N(C(C)C)C(C)C)c1c(cccc1C)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: 10.759 ± 0.0008 Å
• b: 14.972 ± 0.0014 Å
• c: 21.213 ± 0.002 Å
• α: 75.454 ± 0.009°
• β: 78.047 ± 0.008°
• γ: 85.108 ± 0.007°
• Cell volume: 3233.8 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No