Information card for entry 7130804

Structure parameters

• Formula: C26 H53 Au Cl N6 P Si
• Calculated formula: C26 H53 Au Cl N6 P Si
• SMILES: [Au](Cl)=C(P(N=C1N(C(C)(C)C)CCN1C(C)(C)C)N=C1N(CCN1C(C)(C)C)C(C)(C)C)[Si](C)(C)C
• Title of publication: Crystalline phosphino(silyl)carbenes that readily form transition metal complexes
• Authors of publication: Löwe, Pawel; Dielmann, Fabian
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.5776 ± 0.0004 Å
• b: 14.1333 ± 0.0004 Å
• c: 18.1953 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3234.45 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0845
• 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