Information card for entry 7026455

Structure parameters

• Formula: C24 H30 Cl2 N2 P2 Pd
• Calculated formula: C24 H30 Cl2 N2 P2 Pd
• SMILES: c1(ccccc1)[P]1(NC(C)C)N(C(C)C)[P](c2ccccc2)(c2ccccc2)[Pd]1(Cl)Cl
• Title of publication: Coordination chemistry of new selective ethylene trimerisation ligand Ph2PN(iPr)P(Ph)NH(R) (R = iPr, Et) and tests in catalysis.
• Authors of publication: Aluri, Bhaskar Reddy; Peulecke, Normen; Peitz, Stephan; Spannenberg, Anke; Müller, Bernd H; Schulz, Stefan; Drexler, Hans-Joachim; Heller, Detlef; Al-Hazmi, Mohammed H; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang; Rosenthal, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7911 - 7920
• a: 8.7588 ± 0.0003 Å
• b: 14.6095 ± 0.0003 Å
• c: 20.0055 ± 0.0006 Å
• α: 90°
• β: 90.028 ± 0.002°
• γ: 90°
• Cell volume: 2559.94 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No