Information card for entry 4349379

Structure parameters

• Chemical name: bis-[3-(4-imidazolium)-2-(1,2,4-triazol-4-yl)-propionato-N,N,O,O]- bis-[3-(4-imidazolium)-2-(1,2,4-triazol-4-yl)-propionate-N,N]- pentacosaoxido-octamolybdenum(VI) Dihydrate
• Formula: C32 H42 Mo8 N20 O35
• Calculated formula: C32 H42 Mo8 N20 O35
• 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: 14.376 ± 0.0009 Å
• b: 9.1515 ± 0.0004 Å
• c: 21.3642 ± 0.0014 Å
• α: 90°
• β: 103.188 ± 0.007°
• γ: 90°
• Cell volume: 2736.6 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No