Information card for entry 4075221

Structure parameters

• Formula: C58 H45 B F9 N P3 Rh
• Calculated formula: C58 H45 B F9 N P3 Rh
• SMILES: [Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[N][B](C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: (PPh3)3RhCNB(CF3)3and (PPh3)3RhNCB(CF3)3: Isocyano- and Cyanoborate Complexes of Tris(triphenylphosphine)rhodium(I)
• Authors of publication: Finze, Maik; Bernhardt, Eduard; Willner, Helge; Lehmann, Christian W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 3070
• a: 12.3421 ± 0.0001 Å
• b: 17.5818 ± 0.0002 Å
• c: 23.4382 ± 0.0002 Å
• α: 90°
• β: 94.789 ± 0.001°
• γ: 90°
• Cell volume: 5068.25 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No