Information card for entry 4348006

Structure parameters

• Formula: C25 H19 Mo N3 O3
• Calculated formula: C25 H19 Mo N3 O3
• SMILES: [Mo]123(Oc4ccccc4C=[N]1c1ccccc1[N]2=C(c1cccc[n]31)c1ccccc1)(=O)=O
• Title of publication: Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence
• Authors of publication: Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 331
• a: 7.9292 ± 0.0002 Å
• b: 11.4808 ± 0.0006 Å
• c: 11.7269 ± 0.0009 Å
• α: 76.524 ± 0.004°
• β: 83.276 ± 0.005°
• γ: 81.837 ± 0.003°
• Cell volume: 1023.71 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No