Information card for entry 7236618

Structure parameters

• Formula: C160 H186 Br2 Co8 N12 O50 S8
• Calculated formula: C160 H184 Br2 Co8 N12 O50 S8
• Title of publication: Pyridinium functionalized coordination containers as highly efficient electrocatalysts for sustainable oxygen evolution
• Authors of publication: Bhuvaneswari, Nagarajan; Annamalai, K. P.; Dai, Feng-Rong; Chen, Zhong-Ning
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 23559
• a: 13.42 ± 0.007 Å
• b: 14.187 ± 0.006 Å
• c: 26.269 ± 0.014 Å
• α: 80 ± 0.02°
• β: 81.54 ± 0.02°
• γ: 66.431 ± 0.016°
• Cell volume: 4498 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No