Information card for entry 2238429

Structure parameters

• Chemical name: (Methanol-κ<i>O</i>)-<i>cis</i>-dioxido{(4<i>Z</i>,<i>N</i>'<i>E</i>)-<i>N</i>'-[(<i>Z</i>)-4-oxido-4-phenylbut-3-en-2-ylidene]isonicotinohydrazidato}molybdenum(VI)
• Formula: C17 H17 Mo N3 O5
• Calculated formula: C17 H17 Mo N3 O5
• SMILES: [Mo]12(=O)(OC(=N[N]2=C(C=C(O1)c1ccccc1)C)c1ccncc1)(=O)[OH]C
• Title of publication: (Methanol-κ<i>O</i>)-<i>cis</i>-dioxido{(4<i>Z</i>,<i>N</i>'<i>E</i>)-<i>N</i>'-[(<i>Z</i>)-4-oxido-4-phenylbut-3-en-2-ylidene]isonicotinohydrazidato}molybdenum(VI)
• Authors of publication: Kurapati, Sathish Kumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m460 - m461
• a: 14.3222 ± 0.0009 Å
• b: 8.4083 ± 0.0005 Å
• c: 16.0102 ± 0.001 Å
• α: 90°
• β: 113.507 ± 0.001°
• γ: 90°
• Cell volume: 1768.03 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes