Information card for entry 4341824

Structure parameters

• Formula: C25 H46 B2 Co F8 N2 P2
• Calculated formula: C25 H46 B2 Co F8 N2 P2
• SMILES: [Co]12([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)([F][B](F)(F)F)[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: 31.694 ± 0.006 Å
• b: 9.9983 ± 0.0019 Å
• c: 19.793 ± 0.004 Å
• α: 90°
• β: 94.329 ± 0.004°
• γ: 90°
• Cell volume: 6254 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No