Information card for entry 7211078

Structure parameters

• Formula: C50 H72 Cu N10 O8 S2
• Calculated formula: C50 H72 Cu N10 O8 S2
• 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: 16.366 ± 0.002 Å
• b: 16.366 ± 0.002 Å
• c: 10.158 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2720.8 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 75
• Hermann-Mauguin space group symbol: P 4
• Hall space group symbol: P 4
• Residual factor for all reflections: 0.2808
• Residual factor for significantly intense reflections: 0.205
• Weighted residual factors for significantly intense reflections: 0.4817
• Weighted residual factors for all reflections included in the refinement: 0.5275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.55
• Diffraction radiation wavelength: 0.710698 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No