Information card for entry 4348218

Structure parameters

• Formula: C117 H112 Cl2 N8 Ni5 O20
• Calculated formula: C117 H112 Cl2 N8 Ni5 O20
• Title of publication: A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation
• Authors of publication: Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 487
• a: 12.8976 ± 0.0006 Å
• b: 13.0924 ± 0.0006 Å
• c: 16.4651 ± 0.0006 Å
• α: 98.686 ± 0.003°
• β: 99.661 ± 0.003°
• γ: 90.904 ± 0.003°
• Cell volume: 2707 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0829
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections: 0.2087
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No