Information card for entry 2004942

Structure parameters

• Chemical name: Diiodobis(phenylsulfonyl)methane
• Formula: C13 H10 I2 O4 S2
• Calculated formula: C13 H10 I2 O4 S2
• SMILES: IC(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)I
• Title of publication: Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~
• Authors of publication: Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1488 - 1490
• a: 6.9936 ± 0.0006 Å
• b: 13.1255 ± 0.0012 Å
• c: 17.988 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.2 ± 0.6 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.1001
• Goodness-of-fit parameter for all reflections: 0.961
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No