Information card for entry 4341826

Structure parameters

• Formula: C26 H46 B Co F4 N P2
• Calculated formula: C26 H46 B Co F4 N P2
• SMILES: [Co]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[N]#CC.[B](F)(F)(F)[F-]
• 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: 11.9513 ± 0.0018 Å
• b: 15.225 ± 0.002 Å
• c: 32.953 ± 0.005 Å
• α: 90.5946 ± 0.0019°
• β: 93.9705 ± 0.0017°
• γ: 90.0638 ± 0.0017°
• Cell volume: 5981.4 ± 1.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2783
• Weighted residual factors for all reflections included in the refinement: 0.3216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No