Information card for entry 4348381

Structure parameters

• Chemical name: poly-[bis(mu-acetato-kO:kO')bis(mu-acetato-kO:kO)bis(mu3-adeninato-k3-N3:N7:N9)trizinc(II)] trihydrate
• Formula: C18 H26 N10 O11 Zn3
• Calculated formula: C18 H20 N10 O11 Zn3
• Title of publication: Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating
• Authors of publication: Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 425
• a: 9.1709 ± 0.0004 Å
• b: 11.7306 ± 0.0004 Å
• c: 12.9958 ± 0.0004 Å
• α: 90°
• β: 96.4 ± 0.003°
• γ: 90°
• Cell volume: 1389.38 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1404
• 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: Yes
• Has Fobs: No