Information card for entry 4348380

Structure parameters

• Chemical name: poly-[(mu3-adeninato-k3-N3:N7:N9)(mu-butanoato-k2-O,O')nickel(II)]
• Formula: C18 H22 N10 Ni2 O4
• Calculated formula: C18 H22 N10 Ni2 O4
• 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: 15.1973 ± 0.0005 Å
• b: 15.1973 ± 0.0005 Å
• c: 22.1529 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5116.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No