Information card for entry 4326432

Structure parameters

• Formula: C86 H126 N6 Ni2 O5
• Calculated formula: C86 H126 N6 Ni2 O5
• Title of publication: Redox-Active Ligands and Organic Radical Chemistry
• Authors of publication: Di Zhu; Indira Thapa; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9879 - 9887
• a: 26.34 ± 0.003 Å
• b: 13.5083 ± 0.0014 Å
• c: 24.279 ± 0.003 Å
• α: 90°
• β: 109.447 ± 0.002°
• γ: 90°
• Cell volume: 8145.8 ± 1.6 ų
• Cell temperature: 202 ± 2 K
• Ambient diffraction temperature: 202 ± 2 K
• Number of distinct elements: 5
• 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: 0.1351
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No