Information card for entry 7714011

Structure parameters

• Formula: C24 H35 Cl Co N10 O7
• Calculated formula: C24 H35 Cl Co N10 O7
• SMILES: [Co]123(ON(=[O]1)=O)([n]1n(Cn4[n]3c(cc4C)C)c(cc1C)C)[n]1n(Cn3[n]2c(cc3C)C)c(cc1C)C.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Reaction of a Co(III)-peroxo Complex with Nitric Oxide: Putative Formation of a Peroxynitrite Intermediate
• Authors of publication: Samanta, Bapan; Ghosh, Riya; Mazumdar, Rakesh; Saha, Shankhadeep; Maity, Sayani; Mondal, Biplab
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.7963 ± 0.0008 Å
• b: 8.2883 ± 0.0004 Å
• c: 25.5819 ± 0.0013 Å
• α: 90°
• β: 94.607 ± 0.002°
• γ: 90°
• Cell volume: 3127.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No