Information card for entry 1546884

Structure parameters

• Formula: C156 H194 B4 Fe Ge4 N12
• Calculated formula: C128 H162 B4 Fe Ge4 N12
• SMILES: [Ge]12([Ge]3(N(c4c(cccc4C)C)B(N3c3c(cccc3C)C)N(C(C)C)C(C)C)C(=C2c2ccccc2)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2(C3=C([Ge]4([Ge]53N(c3c(cccc3C)C)B(N5c3c(cccc3C)C)N(C(C)C)C(C)C)N(c3c(cccc3C)C)B(N4c3c(cccc3C)C)N(C(C)C)C(C)C)c3ccccc3)[cH]7[cH]8[cH]9[cH]%102)N(c2c(cccc2C)C)B(N1c1c(cccc1C)C)N(C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)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: 10.8838 ± 0.0008 Å
• b: 16.8256 ± 0.0012 Å
• c: 19.8906 ± 0.0016 Å
• α: 77.578 ± 0.003°
• β: 78.671 ± 0.003°
• γ: 72.523 ± 0.003°
• Cell volume: 3358.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1122
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No