Information card for entry 7707948

Structure parameters

• Formula: C69 H88 B2 Co N10
• Calculated formula: C69 H88 B2 Co N10
• SMILES: [Co]123[N](CC[N]1=C(N(C)C)N(C)C)(CC[N]2=C(N(C)C)N(C)C)CC[N]3=C(N(C)C)N(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Formation of cobalt-oxygen intermediates by dioxygen activation at a mononuclear nonheme cobalt(ii) center.
• Authors of publication: Malik, Deesha D.; Chandra, Anirban; Seo, Mi Sook; Lee, Yong-Min; Farquhar, Erik R.; Mebs, Stefan; Dau, Holger; Ray, Kallol; Nam, Wonwoo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11889 - 11898
• a: 17.8342 ± 0.0017 Å
• b: 19.1569 ± 0.0018 Å
• c: 18.2002 ± 0.0017 Å
• α: 90°
• β: 91.831 ± 0.005°
• γ: 90°
• Cell volume: 6214.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No