Information card for entry 7059541

Structure parameters

• Chemical name: 1,3-bis[(E)-[(2-hydroxy-4-methoxyphenyl)methylidene]amino]urea
• Formula: C17 H18 N4 O5
• Calculated formula: C17 H18 N4 O5
• 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: 9.3305 ± 0.0008 Å
• b: 10.2881 ± 0.0007 Å
• c: 18.0461 ± 0.0016 Å
• α: 90°
• β: 104.692 ± 0.008°
• γ: 90°
• Cell volume: 1675.7 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No