Information card for entry 1561794

Structure parameters

• Formula: C29 H35 Cu2 N5 O14
• Calculated formula: C29 H35 Cu2 N5 O14
• 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: 11.4795 ± 0.0001 Å
• b: 8.8862 ± 0.0001 Å
• c: 15.9648 ± 0.0001 Å
• α: 90°
• β: 93.708 ± 0.001°
• γ: 90°
• Cell volume: 1625.15 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No