Information card for entry 8105266

Structure parameters

• Chemical name: Caesium(I)-Bis(1,4,7,10-tetraoxacyclododecane)-triiodide
• Formula: C16 H32 Cs I3 O8
• Calculated formula: C16 H32 Cs I3 O8
• Title of publication: Halogen bonding in crystal structure of bis(1,4,7,10-tetraoxacyclododecane-κ4O,O′,O′′,O′′′)cesium triiodide, C16H32CsI3O8
• Authors of publication: Bloukh, Samir Haj; Edis, Zehra
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 717 - 719
• a: 10.793 ± 0.0005 Å
• b: 11.561 ± 0.0005 Å
• c: 12.488 ± 0.0005 Å
• α: 73.05 ± 0.01°
• β: 88.87 ± 0.01°
• γ: 66.06 ± 0.01°
• Cell volume: 1353.62 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.624
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No