Information card for entry 4063754

Structure parameters

• Formula: C43 H45 Cl6 Cr N2 O4 P3
• Calculated formula: C43 H45 Cl6 Cr N2 O4 P3
• SMILES: [Cr]1([P](N(P(N([P]1(c1ccccc1)c1ccccc1)C(C)C)c1ccccc1)C(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].ClCCl.ClCCl.C(Cl)Cl
• Title of publication: N,N′-Bis(diphenylphosphino)diaminophenylphosphine Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions
• Authors of publication: Dulai, Arminderjit; McMullin, Claire L.; Tenza, Kenny; Wass, Duncan F.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 935
• a: 9.5183 ± 0.0009 Å
• b: 26.52 ± 0.002 Å
• c: 20.3442 ± 0.0019 Å
• α: 90°
• β: 115.659 ± 0.006°
• γ: 90°
• Cell volume: 4629 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No