Information card for entry 4064431

Structure parameters

• Formula: C52 H70 Al2 Cl4 Cr2 N4 P4
• Calculated formula: C52 H70 Al2 Cl4 Cr2 N4 P4
• SMILES: [Cr]123([Cl][Al](N([P]2(N([P]3(c2ccccc2)c2ccccc2)C(C)C)c2ccccc2)C(C)C)(C)C)[Cl][Cr]23([Cl][Al](N([P]2(N([P]3(c2ccccc2)c2ccccc2)C(C)C)c2ccccc2)C(C)C)(C)C)[Cl]1
• Title of publication: Heterobimetallic Al−Cl−Cr Intermediates with Relevance to the Selective Catalytic Ethene Trimerization Systems Consisting of CrCl3(THF)3, the Aminophosphorus Ligands Ph2PN(R)P(Ph)N(R)H, and Triethylaluminum
• Authors of publication: Peitz, Stephan; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Drexler, Hans-Joachim; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Al-Eidan, Khalid E.; Wöhl, Anina; Müller, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2364
• a: 10.601 ± 0.002 Å
• b: 15.658 ± 0.003 Å
• c: 27.998 ± 0.006 Å
• α: 73.9 ± 0.03°
• β: 86.2 ± 0.03°
• γ: 79.93 ± 0.03°
• Cell volume: 4395.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.115
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No