Information card for entry 4510645

Structure parameters

• Chemical name: Poly[bis(mu-isophthalato-kO:kO':kO'':kO''')bis(9-methyladenine-kN7) dicopper(II)‒isophthalic acid (1/2)]
• Formula: C44 H34 Cu2 N10 O16
• Calculated formula: C44 H34 Cu2 N10 O16
• Title of publication: Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks
• 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: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 3057
• a: 13.458 ± 0.002 Å
• b: 13.046 ± 0.001 Å
• c: 13.826 ± 0.002 Å
• α: 90°
• β: 96.922 ± 0.012°
• γ: 90°
• Cell volume: 2409.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.204
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.3001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No