Information card for entry 7211073

Structure parameters

• Formula: C50 H78 Cl2 N10 Ni O18 S2
• Calculated formula: C50 H78 Cl2 N10 Ni O18 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: 14.138 ± 0.003 Å
• b: 16.749 ± 0.003 Å
• c: 26.051 ± 0.005 Å
• α: 90°
• β: 99.11 ± 0.03°
• γ: 90°
• Cell volume: 6091 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No