Information card for entry 2009977

Structure parameters

• Chemical name: Triethylammonium hydrogen dichlorotris(diphenylphosphinito)- rhodium(III) tetrahydrofuran (1/1).
• Formula: C46 H31 Cl2 N O4 P3 Rh
• Calculated formula: C46 H31 Cl2 N O4 P3 Rh
• SMILES: [Rh](P(=O)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)(Cl)Cl.[NH+](CC)(CC)CC.C1CCCO1
• Title of publication: Triethylammonium hydrogen dichlorotris(diphenylphosphinito-<i>P</i>)rhodium(III) tetrahydrofuran (1/1)
• Authors of publication: Irvine, Derek J.; Cole-Hamilton, David J.; Barnes, John C.; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1222 - 1225
• a: 14.886 ± 0.006 Å
• b: 20.676 ± 0.01 Å
• c: 15.239 ± 0.006 Å
• α: 90°
• β: 103.88 ± 0.03°
• γ: 90°
• Cell volume: 4553 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1546
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No