Information card for entry 7111757

Structure parameters

• Common name: pentakis(trimethylphosphine)rhodium(i) tetra(pentafluorophenyl)borate
• Chemical name: pentakis(trimethylphosphine)rhodium(I) tetra(pentafluorophenyl)borate
• Formula: C39 H45 B F20 P5 Rh
• Calculated formula: C39 H45 B F20 P5 Rh
• SMILES: [Rh]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and structures of the homoleptic cations [M(PMe3)5]+ (M = Rh, Ir)
• Authors of publication: Rivers, Joseph H.; Jones, Richard A.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4300 - 4302
• a: 12.7999 ± 0.0008 Å
• b: 13.4422 ± 0.0008 Å
• c: 15.4812 ± 0.0009 Å
• α: 111.879 ± 0.001°
• β: 99.044 ± 0.002°
• γ: 103.507 ± 0.002°
• Cell volume: 2313.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No