Information card for entry 7001062

Structure parameters

• Formula: C18 H42 K0.5 N5.5 Ni O3 Si
• Calculated formula: C18 H42 K0.5 N5.5 Ni O3 Si
• 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: 24.6663 ± 0.0011 Å
• b: 24.6663 ± 0.0011 Å
• c: 17.6314 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10727.4 ± 1.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No