Information card for entry 7005317

Structure parameters

• Formula: C31 H27 Cr N O4 P2
• Calculated formula: C31 H27 Cr N O4 P2
• SMILES: [Cr]1([P](N([P]1(c1ccccc1)c1ccccc1)C(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: One electron oxidation of chromium N,N-bis(diarylphosphino)amine and bis(diarylphosphino)methane complexes relevant to ethene trimerisation and tetramerisation.
• Authors of publication: Bowen, Lucy E.; Haddow, Mairi F.; Orpen, A. Guy; Wass, Duncan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1160 - 1168
• a: 10.795 ± 0.002 Å
• b: 15.43 ± 0.003 Å
• c: 17.984 ± 0.004 Å
• α: 90.51 ± 0.03°
• β: 106.82 ± 0.03°
• γ: 95.17 ± 0.03°
• Cell volume: 2853.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No