Information card for entry 7206115

Structure parameters

• Common name: (Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3- hydroxypyridine)molybdenum(VI)
• Chemical name: (Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine)molybdenum(VI)
• Formula: C16 H14 Mo N4 O5
• Calculated formula: C16 H14 Mo N4 O5
• SMILES: c1ccc(OC)c2O[Mo]3(Oc4c([N]3=Cc12)nccc4)([n]1c[nH]cc1)(=O)=O
• Title of publication: Mechanosensitive metal‒ligand bonds in the design of new coordination compounds
• Authors of publication: Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4314
• a: 7.4565 ± 0.0004 Å
• b: 17.8707 ± 0.0014 Å
• c: 12.2079 ± 0.0009 Å
• α: 90°
• β: 93.021 ± 0.006°
• γ: 90°
• Cell volume: 1624.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No