Information card for entry 1561795

Structure parameters

• Formula: C26 H36 Cu2 N4 O17
• Calculated formula: C26 H22 Cu2 N4 O17
• Title of publication: Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal
• Authors of publication: Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 230
• Pages of publication: 191 - 198
• a: 18.8827 ± 0.0005 Å
• b: 9.8114 ± 0.0002 Å
• c: 19.5013 ± 0.0004 Å
• α: 90°
• β: 108.692 ± 0.003°
• γ: 90°
• Cell volume: 3422.36 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No