Information card for entry 2004908

Structure parameters

• Chemical name: Bis(2-methyl-8-quinolinolato) Molybdenum
• Formula: C20 H16 Mo N2 O4
• Calculated formula: C20 H16 Mo N2 O4
• SMILES: [Mo]12([n]3c(ccc4cccc(O1)c34)C)([n]1c(ccc3cccc(O2)c13)C)(=O)=O
• Title of publication: <i>cis</i>-Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)dioxomolybdenum(VI)
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Niu, J.-Y.; Wang, J.-P.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1150 - 1152
• a: 13.3698 ± 0.0002 Å
• b: 8.5803 ± 0.0001 Å
• c: 16.5573 ± 0.0001 Å
• α: 90°
• β: 109.459 ± 0.001°
• γ: 90°
• Cell volume: 1790.91 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0552
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No