Information card for entry 4085709

Structure parameters

• Formula: C23 H36 Co P3
• Calculated formula: C23 H36 Co P3
• SMILES: [Co]123([P](CC[CH]1=[CH]2C3)(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: 9.7918 ± 0.0006 Å
• b: 9.9316 ± 0.0006 Å
• c: 14.068 ± 0.0008 Å
• α: 86.998 ± 0.001°
• β: 80.104 ± 0.001°
• γ: 64.476 ± 0.001°
• Cell volume: 1215.84 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No