Information card for entry 7006281

Structure parameters

• Formula: C5 Al2 F55 I6 O6 P
• Calculated formula: C25.6 Al2 F55 I6 O6 P0.82
• Title of publication: Exploring the chemistry of free CI3+: reactions with the weak Lewis bases PX3 (X = Cl-I), AsI3 and Et2O.
• Authors of publication: Raabe, Ines; Röhr, Caroline; Krossing, Ingo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5376 - 5386
• a: 13.243 ± 0.003 Å
• b: 16.325 ± 0.003 Å
• c: 13.139 ± 0.003 Å
• α: 90°
• β: 94.75 ± 0.03°
• γ: 90°
• Cell volume: 2830.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No