Information card for entry 4346417

Structure parameters

• Formula: C33 H28 Cl F6 N2 P3 Pd
• Calculated formula: C33 H28 Cl F6 N2 P3 Pd
• SMILES: [Pd]12(Cl)[P](c3ccccc3)(c3ccccc3)CN3c4ccccc4N(C=23)C[P]1(c1ccccc1)c1ccccc1.[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: 13.8424 ± 0.0006 Å
• b: 15.2793 ± 0.0007 Å
• c: 15.9485 ± 0.0007 Å
• α: 86.477 ± 0.002°
• β: 89.297 ± 0.002°
• γ: 76.105 ± 0.002°
• Cell volume: 3268.2 ± 0.3 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: 0.0208
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No