Information card for entry 4320468

Structure parameters

• Formula: C21 H45 Co2 F3 N4 O12 S
• Calculated formula: C21 H45 Co2 F3 N4 O12 S
• SMILES: [Co]123([O]=C(O[Co]4([O]=C(O1)C)([OH]2)(OC(=O)C)[N](C)(C)CC[N]4(C)C)C)(OC(=O)C)[N](C)(C)CC[N]3(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases
• Authors of publication: David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5962 - 5971
• a: 8.3982 ± 0.0003 Å
• b: 13.2386 ± 0.0006 Å
• c: 29.0771 ± 0.0006 Å
• α: 90°
• β: 95.698 ± 0.003°
• γ: 90°
• Cell volume: 3216.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No