Information card for entry 4506341

Structure parameters

• Chemical name: catena-[(mu4-pimelatoK4-O,O',O'',O''')(9-methyladenine-kN7)copper(II)]pimelic acid
• Formula: C20 H29 Cu N5 O8
• Calculated formula: C20 H29 Cu N5 O8
• 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: 9.2597 ± 0.0006 Å
• b: 9.4665 ± 0.0006 Å
• c: 14.671 ± 0.0009 Å
• α: 80.899 ± 0.005°
• β: 75.478 ± 0.005°
• γ: 67.339 ± 0.005°
• Cell volume: 1146.09 ± 0.13 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: 0.0425
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No