Information card for entry 4506339

Structure parameters

• Chemical name: catena-[(mu4-glutarato-K4-O,O',O'',O''')(3-methyladenine-KN7)copper(II)]dihydrate
• Formula: C11 H17 Cu N5 O6
• Calculated formula: C11 H13 Cu N5 O6
• 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: 7.758 ± 0.002 Å
• b: 8.341 ± 0.002 Å
• c: 11.773 ± 0.002 Å
• α: 100.98 ± 0.02°
• β: 97.44 ± 0.02°
• γ: 94.19 ± 0.02°
• Cell volume: 737.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No