Information card for entry 4341499

Structure parameters

• Formula: C12 H18 B2 Co F4 N6 O4
• Calculated formula: C12 H18 B2 Co F4 N6 O4
• SMILES: CC1C(C)=[N]2[Co]34([N]=1O[B](F)(F)O[N]4=C(C(C)=[N]3O[B](F)(F)O2)C)([N]#CC)[N]#CC
• Title of publication: Dihydrogen activation by cobaloximes with various axial ligands.
• Authors of publication: Li, Gang; Estes, Deven P.; Norton, Jack R.; Ruccolo, Serge; Sattler, Aaron; Sattler, Wesley
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10743 - 10747
• a: 8.5877 ± 0.0019 Å
• b: 11.747 ± 0.003 Å
• c: 9.73 ± 0.002 Å
• α: 90°
• β: 114.822 ± 0.003°
• γ: 90°
• Cell volume: 890.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No