Information card for entry 7027916

Structure parameters

• Formula: C20 H16 Mo N4 O8
• Calculated formula: C20 H16 Mo N4 O8
• SMILES: [Mo]123(=O)(=O)Oc4c(C[N]2(Cc2c(O1)ccc(N(=O)=O)c2)Cc1[n]3cccc1)cc(N(=O)=O)cc4
• 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: 9.4745 ± 0.0004 Å
• b: 11.421 ± 0.0006 Å
• c: 9.5782 ± 0.0004 Å
• α: 90°
• β: 96.172 ± 0.003°
• γ: 90°
• Cell volume: 1030.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1575
• Weighted residual factors for significantly intense reflections: 0.1424
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No