Information card for entry 7714680

Structure parameters

• Formula: C21 H20 Br N3 O2 Zn
• Calculated formula: C21 H20 Br N3 O2 Zn
• SMILES: Br[Zn]123Oc4c(C=O)cc(C)cc4C[N]1(Cc1[n]3cccc1)Cc1[n]2cccc1
• 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: 15.2257 ± 0.0012 Å
• b: 12.0543 ± 0.0009 Å
• c: 21.5492 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3955 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.06 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No