Information card for entry 7026452

Structure parameters

• Formula: C29 H33 Cr N3 O3 P2
• Calculated formula: C29 H33 Cr N3 O3 P2
• SMILES: C(C)(C)N[P]1(c2ccccc2)[Cr](C#[O])(C#[O])(C#[O])([N]#CC)[P](c2ccccc2)(c2ccccc2)N1C(C)C
• 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: 12.7627 ± 0.0002 Å
• b: 17.6292 ± 0.0003 Å
• c: 26.0903 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5870.22 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No