Information card for entry 4127175

Structure parameters

• Formula: C24.18 H29.8 Cl N2 Ni
• Calculated formula: C24.179 H29.809 Cl N2 Ni
• Title of publication: Long-Lived Charge Transfer States of Nickel(II) Aryl Halide Complexes Facilitate Bimolecular Photoinduced Electron Transfer.
• Authors of publication: Shields, Benjamin J.; Kudisch, Bryan; Scholes, Gregory D.; Doyle, Abigail G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 16.2813 ± 0.0005 Å
• b: 10.4055 ± 0.0003 Å
• c: 13.5951 ± 0.0004 Å
• α: 90°
• β: 91.0311 ± 0.001°
• γ: 90°
• Cell volume: 2302.84 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 2.561
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No