Information card for entry 7005320

Structure parameters

• Formula: C34 H32 Cl2 Cr O8 P2
• Calculated formula: C34 H32 Cl2 Cr O8 P2
• SMILES: [Cr]1([P](C[P]1(c1c(OC)cccc1)c1c(OC)cccc1)(c1c(OC)cccc1)c1c(OC)cccc1)(C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 11.807 ± 0.009 Å
• b: 17.767 ± 0.011 Å
• c: 17.847 ± 0.009 Å
• α: 80.5 ± 0.06°
• β: 86.84 ± 0.04°
• γ: 74.8 ± 0.06°
• Cell volume: 3563 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No