Information card for entry 4335351

Structure parameters

• Formula: C54 H52 B Co N6 O4
• Calculated formula: C54 H52 B Co N6 O4
• SMILES: [Co]1234(ON5C(OCC5(C)C)(c5[n]1cccc5)c1[n]2cccc1)ON1C(OCC1(C)C)(c1[n]3cccc1)c1[n]4cccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.4781 ± 0.0014 Å
• b: 15.894 ± 0.0018 Å
• c: 23.212 ± 0.003 Å
• α: 90°
• β: 104.92 ± 0.004°
• γ: 90°
• Cell volume: 4448.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1243
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No