Information card for entry 7714674

Structure parameters

• Formula: C27 H25 N3 O2 S Zn
• Calculated formula: C27 H25 N3 O2 S Zn
• SMILES: [Zn]123(Sc4ccccc4)Oc4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cc(cc4C=O)C
• Title of publication: Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.
• Authors of publication: Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 949 - 965
• a: 19.047 ± 0.006 Å
• b: 12.115 ± 0.004 Å
• c: 10.586 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2442.8 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No