Information card for entry 7130807

Structure parameters

• Chemical name: (sItBuN)2PCl
• Formula: C34 H54 Cl F2 N6 P
• Calculated formula: C34 H54 Cl F2 N6 P
• 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: 26.3923 ± 0.0006 Å
• b: 5.8698 ± 0.0001 Å
• c: 26.0141 ± 0.0006 Å
• α: 90°
• β: 116.927 ± 0.001°
• γ: 90°
• Cell volume: 3593.12 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No