Information card for entry 7012053

Structure parameters

• Formula: C17 H15 Mo N5 O4
• Calculated formula: C17 H15 Mo N5 O4
• SMILES: [Mo]12(=O)(=O)(Oc3c(C=[N]2N=C(O1)c1ccccc1N)cccc3)[n]1cc[nH]c1
• Title of publication: A family of mononuclear molybdenum-(vi), and -(iv) oxo complexes with a tridentate (ONO) ligand
• Authors of publication: Dinda, Rupam; Sengupta, Parbati; Ghosh, Saktiprosad; Mayer-Figge, Heike; Sheldrick, William S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4434
• a: 11.34 ± 0.003 Å
• b: 6.7416 ± 0.0011 Å
• c: 22.902 ± 0.004 Å
• α: 90°
• β: 99.35 ± 0.02°
• γ: 90°
• Cell volume: 1727.6 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No