Information card for entry 4083053

Structure parameters

• Formula: C38 H45 Co P4
• Calculated formula: C38 H45 Co P4
• SMILES: c1(ccccc1)[P]1(c2ccccc2)Cc2cccc3c2[Co]1([P](C3)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• 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: 9.7907 ± 0.0003 Å
• b: 20.2094 ± 0.0008 Å
• c: 35.0149 ± 0.0008 Å
• α: 90°
• β: 91.708 ± 0.002°
• γ: 90°
• Cell volume: 6925.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No