Information card for entry 7043513

Structure parameters

• Formula: C30 H52 B Co N7 O2
• Calculated formula: C30 H52 B Co N7 O2
• SMILES: [Co]123(ON=[O]1)[n]1n(c(cc1C(C)(C)C)C(C)C)[BH](n1[n]2c(C(C)(C)C)cc1C(C)C)n1[n]3c(C(C)(C)C)cc1C(C)C
• 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: 9.4573 ± 0.0013 Å
• b: 17.404 ± 0.002 Å
• c: 20.336 ± 0.003 Å
• α: 90°
• β: 100.603 ± 0.003°
• γ: 90°
• Cell volume: 3290 ± 0.8 ų
• Cell temperature: 138 K
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No