Information card for entry 7043046

Structure parameters

• Formula: C39.5 H55.92 B Cl N2
• Calculated formula: C39.5 H56 B Cl N2
• Title of publication: Facile Routes to Abnormal-NHC-Cobalt(II) Complexes
• Authors of publication: Ghadwal, Rajendra S.; Lamm, Jan-Hendrik; Rottschaefer, Dennis; Schürmann, Christian J.; Demeshko, Serhiy
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.075 ± 0.002 Å
• b: 17 ± 0.002 Å
• c: 21.788 ± 0.003 Å
• α: 90°
• β: 107.71 ± 0.02°
• γ: 90°
• Cell volume: 7436.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No