Information card for entry 4325429

Structure parameters

• Chemical name: poly-[(mu3-adeninato-k3-N3:N7:N9)(mu-butanoato-K2-O,O')copper(II)]
• Formula: C18 H28 Cu2 O7 n10
• Calculated formula: C18 H22 Cu2 N10 O7
• Title of publication: Open-Framework Copper Adeninate Compounds with Three-Dimensional Microchannels Tailored by Aliphatic Monocarboxylic Acids
• Authors of publication: Sonia Pérez-Yáñez; Garikoitz Beobide; Oscar Castillo; Javier Cepeda; Antonio Luque; Andrés T. Aguayo; Pascual Román
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5330 - 5332
• a: 15.348 ± 0.005 Å
• b: 15.348 ± 0.005 Å
• c: 22.702 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5348 ± 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: 0.208
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No