Information card for entry 4083054

Structure parameters

• Formula: C34 H27 Co O2 P2
• Calculated formula: C34 H27 Co O2 P2
• SMILES: [Co]12([P](c3ccccc3)(c3ccccc3)Cc3cccc(c23)C[P]1(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Cobalt PCP Pincer Complexes via an Unexpected Sequence of Ortho Metalations
• Authors of publication: Kent, Mark A.; Woodall, Christopher H.; Haddow, Mairi F.; McMullin, Claire L.; Pringle, Paul G.; Wass, Duncan F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5686
• a: 17.4712 ± 0.0003 Å
• b: 9.0485 ± 0.0002 Å
• c: 20.1479 ± 0.0004 Å
• α: 90°
• β: 90.9 ± 0.001°
• γ: 90°
• Cell volume: 3184.75 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No