Information card for entry 1546541

Structure parameters

• Formula: C32 H30 Cl Ge Nb O3
• Calculated formula: C32 H30 Cl Ge Nb O3
• SMILES: [Nb]1234(=[Ge](Cl)c5c(cccc5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)([cH]5[cH]1[cH]2[cH]4[cH]35)(C#[O])(C#[O])C#[O]
• 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: 20.237 ± 0.003 Å
• b: 15.315 ± 0.002 Å
• c: 9.1804 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2845.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No