Information card for entry 7211074

Structure parameters

• Formula: C48 H84 Cl4 N8 Ni O30
• Calculated formula: C48 H84 Cl4 N8 Ni O30
• 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: 17.576 ± 0.004 Å
• b: 14.207 ± 0.003 Å
• c: 25.869 ± 0.005 Å
• α: 90°
• β: 95.43 ± 0.03°
• γ: 90°
• Cell volume: 6431 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1746
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.2742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No