Information card for entry 7032228

Structure parameters

• Formula: C28 H24.5 Cu N3.5 O5
• Calculated formula: C25 H20 Cu N2 O5
• Title of publication: Two isoreticular metal-organic frameworks with CdSO4-like topology: selective gas sorption and drug delivery.
• Authors of publication: Liu, Jian-Qiang; Wu, Jian; Jia, Zhen-Bin; Chen, Hong-Lang; Li, Qing-Lin; Sakiyama, Hiroshi; Soares, Thereza; Ren Fei,; Daiguebonne, Carole; Guillou, Olivier; Ng, Seik Weng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17265 - 17273
• a: 13.7894 ± 0.0011 Å
• b: 17.4839 ± 0.0014 Å
• c: 10.8445 ± 0.0009 Å
• α: 90°
• β: 100.429 ± 0.001°
• γ: 90°
• Cell volume: 2571.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No