Information card for entry 7713841

Structure parameters

• Formula: C24 H20 Co N2 O2 P S
• Calculated formula: C24 H20 Co N2 O2 P S
• SMILES: [Co](Sc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N=O)N=O
• Title of publication: Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing
• Authors of publication: Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.7624 ± 0.0003 Å
• b: 25.1828 ± 0.0007 Å
• c: 10.4527 ± 0.0003 Å
• α: 90°
• β: 116.673 ± 0.0012°
• γ: 90°
• Cell volume: 2296.29 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No