Information card for entry 4115877

Structure parameters

• Formula: C48 H72 B2 F8 N8 Ni2 O10
• Calculated formula: C48 H66 B2 F8 N8 Ni2 O10
• SMILES: [B](F)(F)(F)[F-].C1c2cccc(C)[n]2[Ni]234([N]1(Cc1[n]2c(ccc1)C)Cc1[n]3c(ccc1)C)OO[Ni]123([N](Cc5cccc(C)[n]15)(Cc1[n]2c(ccc1)C)Cc1[n]3c(ccc1)C)OO4.OC.OC.OC.[B](F)(F)(F)[F-].OC.OC.OC
• Title of publication: Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand
• Authors of publication: Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 254 - 262
• a: 13.301 ± 0.006 Å
• b: 15.638 ± 0.008 Å
• c: 13.857 ± 0.004 Å
• α: 90°
• β: 104.17 ± 0.02°
• γ: 90°
• Cell volume: 2795 ± 2 ų
• Cell temperature: 157 K
• Ambient diffraction temperature: 157 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1218
• Goodness-of-fit parameter for significantly intense reflections: 1.683
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No