Information card for entry 4343319

Structure parameters

• Common name: [Ni(TBDAP)(NO3)](NO3)
• Formula: C22 H34 N6 Ni O7
• Calculated formula: C22 H34 N6 Ni O7
• SMILES: [Ni]123([OH2])(ON(=O)=O)[N]4(C(C)(C)C)Cc5[n]1c(C[N]2(Cc1[n]3c(C4)ccc1)C(C)(C)C)ccc5.O=N(=O)[O-]
• 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: 15.2958 ± 0.0005 Å
• b: 16.4819 ± 0.0006 Å
• c: 19.9118 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5019.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No