Information card for entry 7025308

Structure parameters

• Formula: C28 H34 N2 O4 W
• Calculated formula: C28 H34 N2 O4 W
• SMILES: [W]123([n]4c(cccc4)C[N]1(Cc1c(O2)c(ccc1)C(C)(C)C)Cc1c(O3)c(ccc1)C(C)(C)C)(=O)=O
• Title of publication: New dioxo-molybdenum(VI) and -tungsten(VI) complexes with N-capped tripodal N₂O₂ tetradentate ligands: synthesis, structures and catalytic activities towards olefin epoxidation.
• Authors of publication: Wong, Yee-Lok; Tong, Lok H.; Dilworth, Jonathan R.; Ng, Dennis K. P.; Lee, Hung Kay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4602 - 4611
• a: 20.257 ± 0.004 Å
• b: 12.703 ± 0.003 Å
• c: 20.78 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5347.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No