Information card for entry 7105430

Structure parameters

• Formula: C12 H17 N3 O13 Zn3
• Calculated formula: C12 H15 N3 O13 Zn3
• Title of publication: A homochiral three-dimensional zinc aspartate framework that displays multiple coordination modes and geometries.
• Authors of publication: Gould, Jamie A; Jones, James T A; Bacsa, John; Khimyak, Yaroslav Z; Rosseinsky, Matthew J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2793 - 2795
• a: 8.484 ± 0.003 Å
• b: 10.491 ± 0.003 Å
• c: 10.187 ± 0.003 Å
• α: 90°
• β: 93.552 ± 0.007°
• γ: 90°
• Cell volume: 905 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No