Information card for entry 7714678

Structure parameters

• Formula: C42 H40 B2 F8 N6 O4 Zn2
• Calculated formula: C42 H40 B2 F8 N6 O4 Zn2
• 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: 9.8506 ± 0.0014 Å
• b: 10.1305 ± 0.0015 Å
• c: 10.4984 ± 0.0013 Å
• α: 105.549 ± 0.012°
• β: 90.387 ± 0.011°
• γ: 91.566 ± 0.012°
• Cell volume: 1008.8 ± 0.2 ų
• Cell temperature: 146.7 ± 0.6 K
• Ambient diffraction temperature: 146.7 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No