Information card for entry 4343320

Structure parameters

• Common name: [Ni(II)(CHDAP)](NO3)2
• Formula: C27 H40 N6 Ni O7
• Calculated formula: C27 H40 N6 Ni O7
• SMILES: [Ni]1234([n]5c6cccc5C[N]1(C1CCCCC1)Cc1[n]2c(C[N]3(C2CCCCC2)C6)ccc1)ON(=[O]4)=O.N(=O)(=O)[O-].OC
• 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: 10.6798 ± 0.0002 Å
• b: 11.8168 ± 0.0002 Å
• c: 12.9559 ± 0.0002 Å
• α: 64.104 ± 0.001°
• β: 82.133 ± 0.001°
• γ: 78.981 ± 0.001°
• Cell volume: 1441.11 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No