Information card for entry 1546543

Structure parameters

• Chemical name: DH-34-2
• Formula: C40 H60 Ge Nb O3 P3 Si
• Calculated formula: C40 H60 Ge Nb O3 P3 Si
• SMILES: [Nb]12(#[Ge]c3c(cccc3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)([P](C[Si](C[P]1(C)C)(C[P]2(C)C)C)(C)C)(C#[O])C#[O].O1CCCC1
• Title of publication: Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)
• Authors of publication: Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 8.418 ± 0.0003 Å
• b: 22.9239 ± 0.0007 Å
• c: 11.8653 ± 0.0005 Å
• α: 90°
• β: 107.548 ± 0.0016°
• γ: 90°
• Cell volume: 2183.14 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0675
• 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