Information card for entry 4349378

Structure parameters

• Chemical name: bis-[4-(4-carboxyphenyl)-1,2,4-triazole-N1,N2] dodecaoxidotetramolybdenum(VI) Monohydrate
• Formula: C18 H16 Mo4 N6 O17
• Calculated formula: C18 H16 Mo4 N6 O17
• Title of publication: Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior.
• Authors of publication: Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4380 - 4394
• a: 7.2937 ± 0.0005 Å
• b: 14.4673 ± 0.0011 Å
• c: 14.8484 ± 0.0011 Å
• α: 117.124 ± 0.008°
• β: 92.334 ± 0.007°
• γ: 99.015 ± 0.008°
• Cell volume: 1366 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No