Information card for entry 7027914

Structure parameters

• Formula: C18 H22 N2 O4 W
• Calculated formula: C18 H22 N2 O4 W
• SMILES: [W]123(=O)(=O)Oc4c(C[N]2(Cc2c(O1)cccc2)CC[N]3(C)C)cccc4
• 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: 11.788 ± 0.001 Å
• b: 18.285 ± 0.002 Å
• c: 8.264 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.1465
• Weighted residual factors for significantly intense reflections: 0.1421
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No