Information card for entry 4508076

Structure parameters

• Chemical name: γ-picoline(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) γ-picoline solvate
• Formula: C26 H25 Mo N5 O5
• Calculated formula: C26 H25 Mo N5 O5
• SMILES: C1c2c(cc(cc2)OC)O[Mo]2([N]=1N=C(c1ccncc1)O2)([n]1ccc(cc1)C)(=O)=O.c1cc(ccn1)C
• 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: 12.8761 ± 0.0007 Å
• b: 11.2127 ± 0.0005 Å
• c: 17.966 ± 0.0008 Å
• α: 90°
• β: 100.514 ± 0.005°
• γ: 90°
• Cell volume: 2550.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No