Information card for entry 7001064

Structure parameters

• Formula: C15 H32 K N5 Ni O3
• Calculated formula: C15 H32 K N5 Ni O3
• SMILES: [Ni]12(O)[N](CCN1C(=O)NC(C)(C)C)(CCN2C(=O)NC(C)(C)C)C.[K+]
• Title of publication: A structure and reactivity analysis of monomeric Ni(ii)‒hydroxo complexes prepared from water
• Authors of publication: Powell-Jia, Darla; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Borovik, A. S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2986 - 2992
• a: 9.522 ± 0.003 Å
• b: 10.422 ± 0.004 Å
• c: 10.84 ± 0.004 Å
• α: 78.983 ± 0.006°
• β: 83.425 ± 0.007°
• γ: 71.637 ± 0.006°
• Cell volume: 1000.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.064
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No