Information card for entry 2204028

Structure parameters

• Chemical name: (bis{[2-(diethylphosphino- κP)ethyl]phenylphosphino}methane)dichloro[]rhodium(III) tetrafluoroborate acetone solvate
• Formula: C28 H46 B Cl2 F4 O P4 Rh
• Calculated formula: C28 H46 B Cl2 F4 O P4 Rh
• SMILES: [Rh]123(Cl)(Cl)[P](CC[P]1(C[P]2(CC[P]3(CC)CC)c1ccccc1)c1ccccc1)(CC)CC.[B](F)(F)(F)[F-].O=C(C)C
• Title of publication: A mononuclear Rh^III^ tetraphosphine complex, [RhCl~2~(C~25~H~40~P~4~)]BF~4~·C~3~D~6~O, crystallized as a perdeuteroacetone solvate
• Authors of publication: Gueorguieva, Petia; Stanley, George G.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1043 - m1045
• a: 10.595 ± 0.002 Å
• b: 14.75 ± 0.003 Å
• c: 22.285 ± 0.005 Å
• α: 90°
• β: 96.186 ± 0.009°
• γ: 90°
• Cell volume: 3462.3 ± 1.2 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 8
• 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: 0.049
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes