Information card for entry 7714229

Structure parameters

• Formula: C65 H44 Cl6 Fe2 N6 O9
• Calculated formula: C65 H44 Cl6 Fe2 N6 O9
• Title of publication: Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell
• Authors of publication: Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 23.246 ± 0.0012 Å
• b: 13.2054 ± 0.0007 Å
• c: 19.6226 ± 0.001 Å
• α: 90°
• β: 101.358 ± 0.002°
• γ: 90°
• Cell volume: 5905.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No