Information card for entry 7712981

Structure parameters

• Formula: C16 H12 Co N6 O6
• Calculated formula: C16 H12 Co N6 O6
• SMILES: c1ccc2c3[n]1[Co]14([n]3ccc2)([n]2cccc3c2nccc3)(ON(=[O]1)=O)ON(=[O]4)=O
• Title of publication: Magnetic properties in two coordination isomeric cobalt(II) single-ion magnets
• Authors of publication: Cui, Hui-Hui; Xu, Hong-Juan; Zhang, Tengkun; Luo, Shuchang; Tong, Wei; Wang, Miao; Wang, Jin; Chen, Lei; Tang, Yanfeng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.509 ± 0.003 Å
• b: 9.1423 ± 0.0018 Å
• c: 14.924 ± 0.003 Å
• α: 90°
• β: 119.08°
• γ: 90°
• Cell volume: 1730.1 ± 0.6 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0307
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No