Information card for entry 4346418

Structure parameters

• Formula: C34 H28 F6 N2 O P3 Rh
• Calculated formula: C34 H28 F6 N2 O P3 Rh
• SMILES: [Rh]12([P](CN3C=2N(c2c3cccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.
• Authors of publication: Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9517 - 9528
• a: 11.0952 ± 0.0005 Å
• b: 11.8453 ± 0.0005 Å
• c: 12.5833 ± 0.0006 Å
• α: 99.828 ± 0.002°
• β: 94.714 ± 0.002°
• γ: 94.948 ± 0.002°
• Cell volume: 1615.5 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No