Information card for entry 7059538

Structure parameters

• Chemical name: 2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)) di(3-methoxyphenolato))bis(imidazol)tetraoxo-di-molybdenum(vi) acetonitrile solvate
• Formula: C25 H25 Mo2 N9 O9
• Calculated formula: C25 H25 Mo2 N9 O9
• 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: 8.2715 ± 0.0003 Å
• b: 12.1751 ± 0.0005 Å
• c: 15.0901 ± 0.0005 Å
• α: 85.958 ± 0.003°
• β: 87.645 ± 0.003°
• γ: 81.166 ± 0.003°
• Cell volume: 1497.2 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0508
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No