Information card for entry 7129819

Structure parameters

• Formula: C45 H66 Cl3 N3 P V
• Calculated formula: C45 H66 Cl3 N3 P 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: 11.3015 ± 0.0006 Å
• b: 11.6166 ± 0.0003 Å
• c: 20.8002 ± 0.0009 Å
• α: 84.755 ± 0.003°
• β: 81.999 ± 0.005°
• γ: 67.677 ± 0.004°
• Cell volume: 2499.3 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2637
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No