Information card for entry 7125299

Structure parameters

• Common name: NiCycP
• Chemical name: [Ni([(1,4,8,11-tetraazacyclotetradecan-1-yl)methylene]phosphonic acid)]n
• Formula: C22 H54 N8 Ni2 O10.01 P2
• Calculated formula: C22 H54 N8 Ni2 O10 P2
• Title of publication: Photochemical CO₂ reduction in water using a co-immobilised nickel catalyst and a visible light sensitiser.
• Authors of publication: Neri, Gaia; Forster, Mark; Walsh, James J.; Robertson, C. M.; Whittles, T. J.; Farràs, Pau; Cowan, Alexander J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 99
• Pages of publication: 14200 - 14203
• a: 10.3977 ± 0.0003 Å
• b: 14.1488 ± 0.0004 Å
• c: 22.4532 ± 0.0007 Å
• α: 90.093 ± 0.001°
• β: 90.531 ± 0.0011°
• γ: 90.097 ± 0.001°
• Cell volume: 3303.05 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No