Information card for entry 7027537

Structure parameters

• Formula: C48 H49 F5 Mo N2 O
• Calculated formula: C48 H49 F5 Mo N2 O
• SMILES: [Mo](Oc1c(F)c(F)c(F)c(F)c1F)(=NN(c1ccccc1)c1ccccc1)(CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
• 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: 11.809 ± 0.003 Å
• b: 11.9047 ± 0.0014 Å
• c: 16.348 ± 0.003 Å
• α: 87.302 ± 0.012°
• β: 81.012 ± 0.015°
• γ: 66.879 ± 0.011°
• Cell volume: 2087.4 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.2221
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No