Information card for entry 4321792

Structure parameters

• Formula: C50.25 H93.5 Cl0.5 Co N6 O2.5
• Calculated formula: C50.25 H91.5 Cl0.5 Co N6 O2.35
• Title of publication: Synthesis and Structure of an Air-Stable, Free-Radical Cobalt(III) Semiquinone Complex
• Authors of publication: Steven Arzberger; Jake Soper; Oren P. Anderson; Agnete la Cour; Mark Wicholas
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 757 - 761
• a: 27.5207 ± 0.0003 Å
• b: 18.4345 ± 0.0003 Å
• c: 22.1614 ± 0.0003 Å
• α: 90°
• β: 102.433 ± 0.001°
• γ: 90°
• Cell volume: 10979.5 ± 0.3 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 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: 0.1663
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for all reflections: 0.2902
• Weighted residual factors for significantly intense reflections: 0.2491
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No