Information card for entry 7713844

Structure parameters

• Formula: C36 H30 B Co F4 N2 O2 P2
• Calculated formula: C36 H30 B Co F4 N2 O2 P2
• SMILES: [Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N=O)N=O.[B](F)(F)(F)[F-]
• 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: 9.4268 ± 0.0005 Å
• b: 18.2553 ± 0.0009 Å
• c: 20.3429 ± 0.0009 Å
• α: 90°
• β: 101.509 ± 0.001°
• γ: 90°
• Cell volume: 3430.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No