Information card for entry 4508078

Structure parameters

• Chemical name: dimethyl sulfoxide(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)- cis-dioxomolybdenum(VI)
• Formula: C16 H17 Mo N3 O6 S
• Calculated formula: C16 H17 Mo N3 O6 S
• SMILES: c1cc(C2=N[N]3=Cc4ccc(cc4O[Mo]3(=O)(=O)([O]=S(C)C)O2)OC)ccn1
• Title of publication: Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects
• Authors of publication: Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3773
• a: 7.4961 ± 0.0004 Å
• b: 11.6335 ± 0.0006 Å
• c: 11.938 ± 0.0006 Å
• α: 110.363 ± 0.005°
• β: 102.375 ± 0.004°
• γ: 98.315 ± 0.004°
• Cell volume: 925.62 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No