Information card for entry 4344851

Structure parameters

• Chemical name: poly-[tetrakis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)- tetrahydroxido-tetracopper(II) octamolybdate(VI) Hexahydrate]
• Formula: C28 H52 Cu4 Mo8 N20 O36
• Calculated formula: C28 H40 Cu4 Mo8 N20 O30
• Title of publication: Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.
• Authors of publication: Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 239
• a: 10.7634 ± 0.0008 Å
• b: 12.7047 ± 0.0011 Å
• c: 24.903 ± 0.002 Å
• α: 85.739 ± 0.007°
• β: 83.475 ± 0.007°
• γ: 69.563 ± 0.006°
• Cell volume: 3168.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No