Information card for entry 7129821

Structure parameters

• Formula: C39 H57 Cl2 N4 Si2 V
• Calculated formula: C39 H57 Cl2 N4 Si2 V
• SMILES: [V](Cl)(Cl)(N([Si](C)(C)C)[Si](C)(C)C)#Cc1[n+](nn(c1c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 15.1641 ± 0.0002 Å
• b: 12.35741 ± 0.00014 Å
• c: 24.0239 ± 0.0003 Å
• α: 90°
• β: 107.882 ± 0.0014°
• γ: 90°
• Cell volume: 4284.32 ± 0.1 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No