Information card for entry 4085707

Structure parameters

• Formula: C34 H43 Co P4
• Calculated formula: C34 H43 Co P4
• SMILES: [Co]12([P](CC=CC2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Cobalt-Promoted Tandem C(sp2)‒H Activation and C‒C Coupling of Vinyldiphenylphosphine: σ- vs π-Coordination Modes within Cyclometalation
• Authors of publication: Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1454
• a: 13.43 ± 0.004 Å
• b: 15.676 ± 0.003 Å
• c: 17.132 ± 0.003 Å
• α: 90°
• β: 112.64 ± 0.01°
• γ: 90°
• Cell volume: 3328.8 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No