Information card for entry 7713845

Structure parameters

• Formula: C36 H30 Co N2 O2 P S2
• Calculated formula: C36 H30 Co N2 O2 P S2
• SMILES: c1(ccccc1)S[Co](N=O)(N=O)Sc1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.051 ± 0.003 Å
• b: 16.554 ± 0.005 Å
• c: 18.159 ± 0.005 Å
• α: 98.004 ± 0.007°
• β: 92.466 ± 0.006°
• γ: 97.493 ± 0.007°
• Cell volume: 3255.2 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1903
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No