Information card for entry 4105459

Structure parameters

• Common name: {[Me2NN]Ni}2(m-h2:h2-ONAr)
• Formula: C50 H59 N5 Ni2 O
• Calculated formula: C50 H59 N5 Ni2 O
• SMILES: [Ni]12(N(c3c(C)cccc3C)C(=CC(=[N]1c1c(C)cccc1C)C)C)[O]1[Ni]3(N(c4c(cccc4C)C)C(=CC(=[N]3c3c(cccc3C)C)C)C)[N]21c1cc(cc(c1)C)C
• Title of publication: Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts
• Authors of publication: Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18105 - 18111
• a: 17.171 ± 0.003 Å
• b: 13.684 ± 0.002 Å
• c: 19.16 ± 0.004 Å
• α: 90°
• β: 91.517 ± 0.003°
• γ: 90°
• Cell volume: 4500.4 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No