Information card for entry 4124750

Structure parameters

• Formula: C38.64 H41.3 N1.5 Ni2 O14.91
• Calculated formula: C38.62 H41.24 N1.5 Ni2 O14.9133
• Title of publication: Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.
• Authors of publication: Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15066 - 15069
• a: 27.7832 ± 0.0014 Å
• b: 27.7832 ± 0.0014 Å
• c: 13.6222 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9106.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.2043
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No