Information card for entry 4313725

Structure parameters

• Chemical name: bis(diphenyldichlorophosphonium) pentachloroindate
• Formula: C24 H20 Cl9 In P2
• Calculated formula: C24 H20 Cl9 In P2
• SMILES: [In]([Cl-])([Cl-])(Cl)(Cl)Cl.[P+](Cl)(Cl)(c1ccccc1)c1ccccc1.[P+](Cl)(Cl)(c1ccccc1)c1ccccc1
• Title of publication: Diphenyldichlorophosphonium Trichloride-Chlorine Solvate 1:1, [PPh2Cl2]+Cl3-.Cl2: An Ionic Form of Diphenyltrichlorophosphorane. Crystal Structures of [PPh2Cl2]+Cl3-.Cl2 and [(PPh2Cl2)+]2[InCl5]2-
• Authors of publication: Jan Taraba; Zdirad Zak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3591 - 3594
• a: 10.957 ± 0.002 Å
• b: 21.295 ± 0.004 Å
• c: 13.893 ± 0.003 Å
• α: 90°
• β: 110.26 ± 0.03°
• γ: 90°
• Cell volume: 3041.1 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0214
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No