Information card for entry 4085499

Structure parameters

• Common name: 2
• Formula: C54 H89 Cl3 N4 W
• Calculated formula: C54 H89 Cl3 N4 W
• SMILES: [W]1(Cl)(Cl)(Cl)(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 21.476 ± 0.012 Å
• b: 11.704 ± 0.006 Å
• c: 22.069 ± 0.012 Å
• α: 90°
• β: 94.813 ± 0.008°
• γ: 90°
• Cell volume: 5528 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2629
• Weighted residual factors for all reflections included in the refinement: 0.3146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No