Information card for entry 7131899

Structure parameters

• Formula: C27 H33 Co Fe N4 O2
• Calculated formula: C27 H33 Co Fe N4 O2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[N]1=C(C)C=C(C)N(c2c(C(C)C)cccc2C(C)C)[Co]1(N=O)N=O
• Title of publication: Promotion of S-Nitrosation of Cysteine by Bioinspired {Co(NO)2}10 Complex
• Authors of publication: Chiang, Chien-Wei; Zhang, Kai-Wen; Chen, Jeng-Lung; Hsu, Liang-Ching; Huang, Wei-Hsiang; Chen, Hung-Chi; Lin, Ting-Jun; Sun, Ci-Yang; Li, Yu-Ning
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.2255 ± 0.0012 Å
• b: 11.5646 ± 0.0013 Å
• c: 11.7408 ± 0.0012 Å
• α: 84.859 ± 0.003°
• β: 76.424 ± 0.003°
• γ: 75.669 ± 0.003°
• Cell volume: 1306.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No