Information card for entry 7003201

Structure parameters

• Formula: C19 H6 Ag Al F36 I6 O4
• Calculated formula: C19 H6 Ag Al F36 I6 O4
• SMILES: [I]1[Ag]23([I]C[I]3)([I]C1)[I]C[I]2.[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: Stable CI3+ salts and attempts to prepare CHI2+ and CH2I+
• Authors of publication: Raabe, Ines; Himmel, Daniel; Müller, Sonja; Trapp, Nils; Kaupp, Martin; Krossing, Ingo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 946 - 956
• a: 10.397 ± 0.002 Å
• b: 14.727 ± 0.003 Å
• c: 28.946 ± 0.006 Å
• α: 90°
• β: 97.13 ± 0.03°
• γ: 90°
• Cell volume: 4397.8 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No