Information card for entry 2230390

Structure parameters

• Chemical name: [<i>N</i>'-(5-Chloro-2-oxidobenzyl-κ<i>O</i>)-2,4-dihydroxybenzohydrazidato- κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)dioxidomolybdenum(VI)‒4,4'- bipyridine (1/1)
• Formula: C25 H21 Cl Mo N4 O7
• Calculated formula: C25 H21 Cl Mo N4 O7
• SMILES: [Mo]12(OC(=N[N]2=Cc2cc(Cl)ccc2O1)c1ccc(O)cc1O)(=O)(=O)[OH]C.n1ccc(cc1)c1ccncc1
• Title of publication: [<i>N</i>'-(5-Chloro-2-oxidobenzyl-κ<i>O</i>)-2,4-dihydroxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)dioxidomolybdenum(VI)‒4,4'-bipyridine (1/1)
• Authors of publication: Ngan, Ngui Khiong; Wong, Richard Chee Seng; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m747
• a: 6.9575 ± 0.0003 Å
• b: 7.4541 ± 0.0004 Å
• c: 47.197 ± 0.002 Å
• α: 90°
• β: 92.0073 ± 0.0006°
• γ: 90°
• Cell volume: 2446.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes