Information card for entry 1572995

Structure parameters

• Formula: C46 H66 N3 V
• Calculated formula: C46 H66 N3 V
• Title of publication: Pnictogen-Based Vanadacyclobutadiene Complexes.
• Authors of publication: Gholi Jafari, Mehrafshan; Russell, John B.; Myung, Hwan; Kwon, Seongyeon; Carroll, Patrick; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 21.2051 ± 0.0015 Å
• b: 12.763 ± 0.0002 Å
• c: 27.536 ± 0.002 Å
• α: 90°
• β: 145.799 ± 0.017°
• γ: 90°
• Cell volume: 4189 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No