Information card for entry 4301619

Structure parameters

• Formula: C26 H36 N6 Ni O11
• Calculated formula: C26 H36 N6 Ni O11
• SMILES: c12cccc3C4N(C(C(N=4=O)(C)C)(C)C)O[Ni]45([n]13)(OC2=O)[n]1c(cccc1C1N(C(C(N=1=O)(C)C)(C)C)O4)C(=O)O5.O.O.O
• Title of publication: Metal Complexes of a Picolinate-Based Nitronyl Nitroxide Free Radical
• Authors of publication: Eugenio Coronado; Carlos Giménez-Saiz; Francisco M. Romero; Ana Tarazón
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2205 - 2214
• a: 7.5162 ± 0.0001 Å
• b: 27.7143 ± 0.0004 Å
• c: 13.7502 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2864.25 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No