Information card for entry 7700200

Structure parameters

• Formula: C94 H62 B Co F24 P4
• Calculated formula: C94 H62 B Co F24 P4
• Title of publication: Direct oxide transfer from an η²-keto ligand to generate a cobalt PC_carbeneP(O) pincer complex.
• Authors of publication: Sung, Simon; Tinnermann, Hendrik; Krämer, Tobias; Young, Rowan D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9920 - 9924
• a: 12.9047 ± 0.0004 Å
• b: 16.5989 ± 0.0006 Å
• c: 19.3561 ± 0.0007 Å
• α: 94.139 ± 0.001°
• β: 94.649 ± 0.001°
• γ: 95.348 ± 0.001°
• Cell volume: 4101.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 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: 0.1064
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No