Information card for entry 7059543

Structure parameters

• Chemical name: 2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(4-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)
• Formula: C19 H22 Mo2 N4 O11
• Calculated formula: C19 H22 Mo2 N4 O11
• SMILES: [Mo]12(Oc3cc(OC)ccc3C=[N]1N=C1O[Mo]3(Oc4c(C=[N]3N21)ccc(OC)c4)(=O)([OH]C)=O)(=O)([OH]C)=O
• Title of publication: Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation
• Authors of publication: Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8085 - 8097
• a: 7.4676 ± 0.0003 Å
• b: 11.7394 ± 0.0004 Å
• c: 14.8772 ± 0.0006 Å
• α: 105.949 ± 0.003°
• β: 103.394 ± 0.003°
• γ: 96.009 ± 0.003°
• Cell volume: 1199.98 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No