Information card for entry 4335348

Structure parameters

• Formula: C30 H32 Co N8 O10
• Calculated formula: C30 H32 Co N8 O10
• SMILES: c1cccc2C34c5cccc[n]5[Co]56([n]12)([O]=[N]3C(CO4)(C)C)[n]1ccccc1C1(c2cccc[n]52)[N](=[O]6)C(CO1)(C)C.O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt Nitroxides
• Authors of publication: Ian A. Gass; Subrata Tewary; Ayman Nafady; Nicholas F. Chilton; Christopher J. Gartshore; Mousa Asadi; David W. Lupton; Boujemaa Moubaraki; Alan M. Bond; John F. Boas; Si-Xuan Guo; Gopalan Rajaraman; Keith S. Murray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7557 - 7572
• a: 9.3825 ± 0.001 Å
• b: 14.1324 ± 0.0017 Å
• c: 11.7395 ± 0.0015 Å
• α: 90°
• β: 101.421 ± 0.003°
• γ: 90°
• Cell volume: 1525.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No