Information card for entry 7111000

Structure parameters

• Formula: C44 H24 Co8 O24 S6
• Calculated formula: C44 H24 Co8 O24 S6
• Title of publication: The formation of sulfur macrocycles containing dialkyne units
• Authors of publication: Davies, John E.; Hope-Weeks, Louisa J.; Mays, Martin J.; Raithby, Paul R.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1411
• a: 9.2401 ± 0.0004 Å
• b: 10.6059 ± 0.0004 Å
• c: 15.5957 ± 0.0005 Å
• α: 102.693 ± 0.002°
• β: 101.976 ± 0.002°
• γ: 91.827 ± 0.002°
• Cell volume: 1453.75 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.1098
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 0.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No