Information card for entry 4341827

Structure parameters

• Formula: C23 H44 B Co F4 N4 P2
• Calculated formula: C23 H44 B Co F4 N4 P2
• Title of publication: Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)
• Authors of publication: Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141203160549001
• a: 16.299 ± 0.002 Å
• b: 21.997 ± 0.003 Å
• c: 32.508 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11655 ± 3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No