Information card for entry 7006282

Structure parameters

• Formula: C17 Al F36 I6 O4 P
• Calculated formula: C17 Al F36 I6 O4 P
• SMILES: I[P+](I)(I)C(I)(I)I.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• 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: 14.466 ± 0.003 Å
• b: 38.944 ± 0.008 Å
• c: 14.623 ± 0.003 Å
• α: 90°
• β: 90.53 ± 0.03°
• γ: 90°
• Cell volume: 8238 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No