Information card for entry 7714682

Structure parameters

• Formula: C29 H29 N3 O2 S Zn
• Calculated formula: C29 H29 N3 O2 S Zn
• SMILES: [Zn]123(Sc4c(C)cccc4C)Oc4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cc(C)cc4C=O
• 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: 11.2316 ± 0.0014 Å
• b: 14.8312 ± 0.0018 Å
• c: 15.672 ± 0.002 Å
• α: 90°
• β: 103.532 ± 0.013°
• γ: 90°
• Cell volume: 2538.1 ± 0.6 ų
• Cell temperature: 147.7 ± 0.9 K
• Ambient diffraction temperature: 147.7 ± 0.9 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No