Information card for entry 7052326

Structure parameters

• Formula: C24 H24 Cu F6 N8 O10 S2
• Calculated formula: C24 H24 Cu F6 N8 O10 S2
• Title of publication: Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)
• Authors of publication: Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 1267
• a: 9.0522 ± 0.0006 Å
• b: 18.0988 ± 0.0012 Å
• c: 19.5538 ± 0.0013 Å
• α: 90°
• β: 95.286 ± 0.001°
• γ: 90°
• Cell volume: 3190 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No