Information card for entry 7053238

Structure parameters

• Common name: octaaquadysprosium 5,5'-azobis[tetrazolide]
• Formula: C6 H32 Dy2 N30 O16
• Calculated formula: C6 H32 Dy2 N30 O16
• SMILES: c1(/N=N/c2[n-]nnn2)[n-]nnn1.[Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].N(/c1[n-]nnn1)=N\c1[n-]nnn1.c1(/N=N/c2[n-]nnn2)[n-]nnn1.[Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: An unusually water-poor 5,5′-azobistetrazolate of dysprosium: stabilization of a nitrogen-rich heterocycle by a minimum of hydrogen bonds
• Authors of publication: Knoll, Christian; Müller, Danny; Giester, Gerald; Ofner, Johannes; Lendl, Bernhard; Weinberger, Peter; Steinhauser, Georg
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 12
• Pages of publication: 3840
• a: 8.077 ± 0.001 Å
• b: 9.435 ± 0.001 Å
• c: 12.681 ± 0.002 Å
• α: 70.06 ± 0.01°
• β: 80.19 ± 0.01°
• γ: 67.97 ± 0.01°
• Cell volume: 841.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No