Information card for entry 7712182

Structure parameters

• Formula: C12 H6 Cl4 Fe2 N4 O4 S2
• Calculated formula: C12 H6 Cl4 Fe2 N4 O4 S2
• Title of publication: A nitrosyl iron complex with 3.4-dichlorothiophenolyl ligands: synthesis, structures and its reactions with targets - carriers of nitrogen oxide (NO) <i>in vivo</i>.
• Authors of publication: Pokidova, Olesya V.; Novikova, Veronika O.; Emel'yanova, Nina S.; Kormukhina, Alexandra Yu; Kulikov, Alexander V.; Utenyshev, Andrey N.; Lazarenko, Vladimir A.; Ovanesyan, Nikolai S.; Starostina, Arina A.; Sanina, Natalya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2641 - 2662
• a: 21.358 ± 0.004 Å
• b: 6.416 ± 0.0013 Å
• c: 17.041 ± 0.003 Å
• α: 90°
• β: 122.66 ± 0.03°
• γ: 90°
• Cell volume: 1966 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.745 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No