Information card for entry 4343321

Structure parameters

• Common name: [Ni(III)(TBDAP)(O2)](ClO4)
• Formula: C22.5 H33 Cl2 N4 Ni O6
• Calculated formula: C22.5 H33 Cl2 N4 Ni O6
• Title of publication: Steric Effect on the Nucleophilic Reactivity of Nickel(III) Peroxo Complexes.
• Authors of publication: Kim, Jalee; Shin, Bongki; Kim, Hyunjeong; Lee, Junhyung; Kang, Joongoo; Yanagisawa, Sachiko; Ogura, Takashi; Masuda, Hideki; Ozawa, Tomohiro; Cho, Jaeheung
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6176 - 6183
• a: 30.9602 ± 0.0006 Å
• b: 12.8498 ± 0.0002 Å
• c: 13.7307 ± 0.0002 Å
• α: 90°
• β: 105.759 ± 0.001°
• γ: 90°
• Cell volume: 5257.2 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No