Information card for entry 4085502

Structure parameters

• Common name: 5
• Formula: C52 H67 N3 W
• Calculated formula: C52 H67 N3 W
• SMILES: [W]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene
• Authors of publication: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 731
• a: 21.026 ± 0.007 Å
• b: 13.208 ± 0.005 Å
• c: 32.424 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9005 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No