Information card for entry 2005009

Structure parameters

• Chemical name: Mer-(2'-benzoylisopropylidene-1-naphthohydrazido)-methanol-cis-dioxo- molybdenum(VI)
• Formula: C22 H20 Mo N2 O5
• Calculated formula: C22 H20 Mo N2 O5
• SMILES: [Mo]12(OC(=N[N]2=C(C=C(O1)c1ccccc1)C)c1cccc2ccccc12)([OH]C)(=O)=O
• Title of publication: <i>mer</i>-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2‒)](methanol)-<i>cis</i>-dioxo-molybdenum(VI)
• Authors of publication: Prelesnik, B.; Ivanovic, I.; Leovac, V. M.; Andjelkovic, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1375 - 1377
• a: 7.418 ± 0.001 Å
• b: 10.814 ± 0.002 Å
• c: 14.039 ± 0.002 Å
• α: 105.4 ± 0.01°
• β: 90.26 ± 0.01°
• γ: 109.97 ± 0.01°
• Cell volume: 1014.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 0.88
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No