Information card for entry 7059536

Structure parameters

• Chemical name: [2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))diphenolato]bis(methanol)tetraoxo-di-molybdenum(vi)
• Formula: C17 H18 Mo2 N4 O9
• Calculated formula: C17 H18 Mo2 N4 O9
• SMILES: [Mo]12(Oc3c(C=[N]2N=C2O[Mo]4(Oc5c(C=[N]4N12)cccc5)(=O)([OH]C)=O)cccc3)([OH]C)(=O)=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: 7.2762 ± 0.0003 Å
• b: 11.2625 ± 0.0003 Å
• c: 25.8472 ± 0.0007 Å
• α: 88.871 ± 0.002°
• β: 86.314 ± 0.003°
• γ: 89.709 ± 0.002°
• Cell volume: 2113.32 ± 0.12 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: 0.0597
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No