Information card for entry 7006216

Structure parameters

• Common name: [QPaPy2)FeOFe(QPaPy2)](ClO4)2.3CH3CN.Et2O
• Formula: C58 H63 Cl2 Fe2 N13 O12
• Calculated formula: C58 H63 Cl2 Fe2 N13 O12
• Title of publication: Formation of a triply bridged µ-oxo diiron(iii) core stabilized by two deprotonated carboxamide groups upon photorelease of NO from a {Fe‒NO}6 iron nitrosyl
• Authors of publication: Eroy-Reveles, Aura A.; Hoffman-Luca, C. Gianna; Mascharak, Pradip K.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5268
• a: 19.6095 ± 0.001 Å
• b: 16.2853 ± 0.0008 Å
• c: 19.6444 ± 0.001 Å
• α: 90°
• β: 110.332 ± 0.004°
• γ: 90°
• Cell volume: 5882.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No