Information card for entry 4118231

Structure parameters

• Formula: C26 H34 Co2 N8 O4
• Calculated formula: C26 H34 Co2 N8 O4
• SMILES: C12=CC=CC=CC1=[N]1CCCCCC[N]3=C4C=CC=CC=C4N(CCCCCCN2[Co]1(N=O)N=O)[Co]3(N=O)N=O
• Title of publication: Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes
• Authors of publication: Julia Kozhukh; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11120 - 11123
• a: 7.9786 ± 0.0007 Å
• b: 12.0151 ± 0.0011 Å
• c: 14.8237 ± 0.0013 Å
• α: 90°
• β: 104.233 ± 0.001°
• γ: 90°
• Cell volume: 1377.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No