Information card for entry 7714679

Structure parameters

• Formula: C90 H76 B2 Fe2 N6 O4
• Calculated formula: C90 H76 B2 Fe2 N6 O4
• 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: 11.1974 ± 0.0012 Å
• b: 12.573 ± 0.0012 Å
• c: 14.8997 ± 0.0012 Å
• α: 103.67 ± 0.003°
• β: 110.022 ± 0.003°
• γ: 104.957 ± 0.003°
• Cell volume: 1778.1 ± 0.3 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No