Information card for entry 4344852

Structure parameters

• Chemical name: poly-[bis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)copper(II) tetramolybdate(VI)]
• Formula: C14 H18 Cu Mo4 N10 O13
• Calculated formula: C14 H18 Cu Mo4 N10 O13
• 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: 7.7513 ± 0.0009 Å
• b: 8.1832 ± 0.0008 Å
• c: 10.4169 ± 0.0011 Å
• α: 74.226 ± 0.01°
• β: 89.356 ± 0.009°
• γ: 79.982 ± 0.01°
• Cell volume: 625.72 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No