Information card for entry 4344853

Structure parameters

• Chemical name: poly[di-μ-oxido-[4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole- κ^4^N1:N2]-tetraoxodimolybdenum(VI)] Monohydrate
• Formula: C7 H11 Mo2 N5 O7
• Calculated formula: C7 H11 Mo2 N5 O7
• 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: 7.3278 ± 0.0009 Å
• b: 8.2854 ± 0.001 Å
• c: 12.8319 ± 0.0011 Å
• α: 76.813 ± 0.01°
• β: 85.869 ± 0.011°
• γ: 64.911 ± 0.01°
• Cell volume: 686.69 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No