Information card for entry 7211071

Structure parameters

• Formula: C48 H82 Cl4 Cu N8 O28
• Calculated formula: C48 H82 Cl4 Cu N8 O28
• Title of publication: Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties
• Authors of publication: Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9655
• a: 14.791 ± 0.003 Å
• b: 17.227 ± 0.003 Å
• c: 25.476 ± 0.005 Å
• α: 90°
• β: 101.96 ± 0.03°
• γ: 90°
• Cell volume: 6350 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No