Information card for entry 4506336

Structure parameters

• Chemical name: poly-[(mu-glutarato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]dihydrate
• Formula: C20 H28 Cu2 N10 O10
• Calculated formula: C20 H26 Cu2 N10 O10
• Title of publication: Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units
• Authors of publication: Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3324
• a: 15.403 ± 0.001 Å
• b: 15.403 ± 0.001 Å
• c: 22.617 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5365.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1379
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No