Information card for entry 4339709

Structure parameters

• Formula: C60 H50 Cl4 I10 O24
• Calculated formula: C60 H50 Cl4 I10 O24
• Title of publication: Preparation and structure of a solid-state hypervalent-iodine polymer containing iodine and oxygen atoms in fused 12-atom hexagonal rings.
• Authors of publication: Richter, Helen W.; Koser, Gerald F.; Incarvito, Christopher D.; Rheingold, Arnold L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5555 - 5561
• a: 14.8422 ± 0.0002 Å
• b: 21.3463 ± 0.0002 Å
• c: 23.7846 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7535.58 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.598
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No