Information card for entry 7027538

Structure parameters

• Formula: C30 H43 F5 N2 O Si3 W
• Calculated formula: C30 H43 F5 N2 O Si3 W
• SMILES: [W](Oc1c(F)c(F)c(F)c(F)c1F)(=NN(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Molybdenum and tungsten mono-isodiazene complexes with alkyl ligands as ring-opening metathesis polymerisation procatalysts. Crystal and molecular structures of [Mo(CH2CMe2Ph)3(NNPh2)(OC6F5)], [W(CH2SiMe3)3(NNPh2)(OC6F5)] and [WCl2(NNPh2)(OC6F5)2(thf )]
• Authors of publication: Dilworth, Jonathan R.; Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2701
• a: 9.9973 ± 0.0012 Å
• b: 10.6644 ± 0.0008 Å
• c: 18.1009 ± 0.0013 Å
• α: 90.841 ± 0.007°
• β: 90.338 ± 0.008°
• γ: 110.944 ± 0.008°
• Cell volume: 1802 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.1173
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No