Information card for entry 7129823

Structure parameters

• Formula: C45 H66 N3 O3 V
• Calculated formula: C45 H66 N3 O3 V
• Title of publication: Vanadium complexes with N-heterocyclic vinylidene ligands
• Authors of publication: Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.9179 ± 0.0004 Å
• b: 19.6672 ± 0.0005 Å
• c: 24.8242 ± 0.0007 Å
• α: 90°
• β: 98.425 ± 0.003°
• γ: 90°
• Cell volume: 5272.8 ± 0.3 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No