Information card for entry 7026451

Structure parameters

• Formula: C27 H28 Cr N2 O4 P2
• Calculated formula: C27 H28 Cr N2 O4 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)N(C(C)C)[P](c2ccccc2)(NCC)[Cr]1(C#[O])(C#[O])(C#[O])C#[O]
• 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: 11.262 ± 0.002 Å
• b: 14.22 ± 0.003 Å
• c: 17.443 ± 0.004 Å
• α: 90°
• β: 102.91 ± 0.03°
• γ: 90°
• Cell volume: 2722.8 ± 1 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: 0.0374
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No