Information card for entry 7714452

Structure parameters

• Formula: C56 H78 Fe6 N40 O27 S8
• Calculated formula: C56 H78 Fe6 N40 O27 S8
• Title of publication: Synthesis, a unique structure and properties of the tetranitrosyl iron complex, the inhibitor of phosphodiesterase 1
• Authors of publication: Sanina, Nataliya A.; Utenyshev, Andrey N.; Dorovatovskii, Pavel; Emel’yanova, Nina S.; Ovanesyan, Nikolai S.; Kulikov, Alexander V.; Sulimenkov, Ilia; Luzhkov, Victor B.; Pokidova, Olesya Viktorovna; Aldoshin, Sergey M.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 34.716 ± 0.007 Å
• b: 7.5037 ± 0.0015 Å
• c: 24.024 ± 0.005 Å
• α: 90°
• β: 131.88 ± 0.03°
• γ: 90°
• Cell volume: 4660 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.80246 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No