Information card for entry 7027539

Structure parameters

• Formula: C28 H18 Cl2 F10 N2 O3 W
• Calculated formula: C28 H18 Cl2 F10 N2 O3 W
• SMILES: [W](Cl)(=NN(c1ccccc1)c1ccccc1)(Oc1c(c(F)c(c(c1F)F)F)F)([O]1CCCC1)(Cl)Oc1c(c(F)c(c(c1F)F)F)F
• 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: 10.908 ± 0.002 Å
• b: 13.007 ± 0.002 Å
• c: 21.66 ± 0.004 Å
• α: 90°
• β: 98.29 ± 0.02°
• γ: 90°
• Cell volume: 3041 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.0803
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No