Information card for entry 2003604

Structure parameters

• Chemical name: Bis-(tetraphenylphosphonium)-hexachlorodiindat(II)
• Formula: C48 H40 Cl6 In2 P2
• Calculated formula: C48 H40 Cl6 In2 P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[In](Cl)([In](Cl)(Cl)Cl)(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN
• Authors of publication: Bubenheim, W.; Frenzen, G.; Müller, U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1120 - 1124
• a: 9.199 ± 0.003 Å
• b: 10.278 ± 0.003 Å
• c: 13.057 ± 0.003 Å
• α: 102.17 ± 0.02°
• β: 99.36 ± 0.03°
• γ: 92.69 ± 0.02°
• Cell volume: 1186.5 ± 0.6 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 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: 0.0443
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.0758
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No