Information card for entry 4508073

Structure parameters

• Chemical name: ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) beta
• Formula: C16 H17 Mo N3 O6
• Calculated formula: C16 H17 Mo N3 O6
• SMILES: C1c2c(cc(cc2)OC)O[Mo]2([N]=1N=C(c1ccncc1)O2)(=O)(=O)[OH]CC
• 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: 6.6894 ± 0.0002 Å
• b: 7.951 ± 0.0003 Å
• c: 16.545 ± 0.0004 Å
• α: 89.648 ± 0.002°
• β: 88.077 ± 0.002°
• γ: 86.684 ± 0.003°
• Cell volume: 878.01 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No