Information card for entry 4085500

Structure parameters

• Common name: 3
• Formula: C82 H90 Cl4 N4 O2 W2
• Calculated formula: C82 H90 Cl4 N4 O2 W2
• SMILES: c12c(c3ccccc3c3c2cccc3)N([W]2(O1)(Cl)(=Nc1c(cccc1C(C)C)C(C)C)[Cl][W]1(N(c3c(O1)c1c(c4c3cccc4)cccc1)c1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(Cl)[Cl]2)c1c(cccc1C(C)C)C(C)C.c1ccccc1
• 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: 15.204 ± 0.0013 Å
• b: 15.2708 ± 0.0012 Å
• c: 17.0338 ± 0.0015 Å
• α: 90°
• β: 114.191 ± 0.003°
• γ: 90°
• Cell volume: 3607.6 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No