Information card for entry 4341495

Structure parameters

• Chemical name: Poly[bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-mu4-oxido- tetracopper(II) tris-molybdate(VI)], 7.5 hydrate
• Formula: C28 H51 Cu4 Mo3 N12 O20.5
• Calculated formula: C28 H36 Cu4 Mo3 N12 O20.5
• Title of publication: Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.
• Authors of publication: Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10112 - 10121
• a: 16.3312 ± 0.0012 Å
• b: 22.4553 ± 0.0014 Å
• c: 12.414 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4552.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No