Information card for entry 7043512

Structure parameters

• Formula: C30 H52 B Co N7 O3
• Calculated formula: C30 H52 B Co N7 O3
• Title of publication: A Cobalt-Nitrosyl Complex with a Hindered Hydrotris(pyrazolyl)borate Coligand: Detailed Electronic Structure, and Reactivity towards Dioxygen
• Authors of publication: Fujisawa, Kiyoshi; Soma, Shoko; Kurihara, Haruka; Dong, Hai Thanh; Bilodeau, Max; Lehnert, Nicolai
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.4152 ± 0.0013 Å
• b: 17.442 ± 0.002 Å
• c: 10.6017 ± 0.0016 Å
• α: 90°
• β: 106.857 ± 0.003°
• γ: 90°
• Cell volume: 1666.2 ± 0.4 ų
• Cell temperature: 138 K
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No