Information card for entry 1572996

Structure parameters

• Formula: C45 H64 N2 P V
• Calculated formula: C45 H64 N2 P 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: 37.668 ± 0.003 Å
• b: 10.2592 ± 0.001 Å
• c: 20.923 ± 0.002 Å
• α: 90°
• β: 91.771 ± 0.006°
• γ: 90°
• Cell volume: 8081.7 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No