Information card for entry 4321436

Structure parameters

• Formula: C44 H60 Co N2 O4 S2
• Calculated formula: C44 H60 Co N2 O4 S2
• Title of publication: Unprecedented Stabilization of Cobalt(II) in a Tetrahedral S2O2 Environment: The Use of a Redox-Noninnocent Ligand
• Authors of publication: Núria Duran; William Clegg; Lourdes Cucurull-Sánchez; Robert A. Coxall; Hermas R. Jiménez; José-María Moratal; Francesc Lloret; Pilar González-Duarte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4821 - 4832
• a: 14.2439 ± 0.001 Å
• b: 18.7125 ± 0.0013 Å
• c: 17.1556 ± 0.0011 Å
• α: 90°
• β: 112.826 ± 0.002°
• γ: 90°
• Cell volume: 4214.5 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections: 0.2468
• Weighted residual factors for significantly intense reflections: 0.2288
• Goodness-of-fit parameter for all reflections: 1.138
• Goodness-of-fit parameter for significantly intense reflections: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No