Information card for entry 7027913

Structure parameters

• Formula: C20 H18 N2 O4 W
• Calculated formula: C20 H18 N2 O4 W
• SMILES: [W]123(=O)(Oc4ccccc4C[N]2(Cc2ccccc2O1)Cc1[n]3cccc1)=O
• Title of publication: cis-Dioxo-tungsten(VI) and -molybdenum(VI) complexes with N2O2 tetradentate ligands: synthesis, structure, electrochemistry and oxo-transfer properties
• Authors of publication: Wong, Yee-Lok; Yan, Yan; Chan, Edith S. H.; Yang, Qingchuan; Mak, Thomas C. W.; Ng, Dennis K. P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 3057
• a: 11.76 ± 0.0011 Å
• b: 14.435 ± 0.0011 Å
• c: 11.879 ± 0.0011 Å
• α: 90°
• β: 116.12 ± 0.004°
• γ: 90°
• Cell volume: 1810.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.0968
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No