Information card for entry 4130807

Structure parameters

• Chemical name: C41 H42 Cl Co N4 P
• Formula: C41 H42.18 Cl1.12 Co N4 P
• Calculated formula: C41 H42.18 Cl1.123 Co N4 P
• Title of publication: Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.
• Authors of publication: Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 36
• Pages of publication: 11907 - 11913
• a: 12.2774 ± 0.0005 Å
• b: 18.0919 ± 0.0007 Å
• c: 16.3936 ± 0.0007 Å
• α: 90°
• β: 94.5253 ± 0.0017°
• γ: 90°
• Cell volume: 3630 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No