Information card for entry 7012778

Structure parameters

• Formula: C50 H80 K O5.5 S
• Calculated formula: C50 H54 K O5.5 S
• Title of publication: Synthesis of mono- and di-potassium salts and methoxy adducts of sulfur-bridged biphenols by selective deprotonationElectronic supplementary information (ESI) available: full characterisation for all complexes described and packing diagrams for 3 and 5. See http://www.rsc.org/suppdata/dt/b3/b301015e/
• Authors of publication: Arnold, Polly L.; Hall, Jonathan J.; Natrajan, Louise S.; Blake, Alexander J.; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1053
• a: 12.9794 ± 0.0015 Å
• b: 23.913 ± 0.003 Å
• c: 17.896 ± 0.002 Å
• α: 90°
• β: 110.092 ± 0.002°
• γ: 90°
• Cell volume: 5216.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.181
• Residual factor for significantly intense reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.328
• Weighted residual factors for all reflections included in the refinement: 0.41
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No