Information card for entry 7119050

Structure parameters

• Chemical name: complex 4
• Formula: C55 H76 Cl2 N4 W
• Calculated formula: C55 H76 Cl2 N4 W
• SMILES: [W](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(Cl)(n1c(ccc1C)C)=CC(C)(C)c1ccccc1.[N+]1(=CN(CC1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes
• Authors of publication: Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6099
• a: 10.5591 ± 0.0003 Å
• b: 13.627 ± 0.0005 Å
• c: 21.2326 ± 0.0007 Å
• α: 86.879 ± 0.002°
• β: 81.476 ± 0.002°
• γ: 88.576 ± 0.002°
• Cell volume: 3016.47 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No