Information card for entry 7717921

Structure parameters

• Formula: C54 H34 Cl2 Fe N10 O2 S2
• Calculated formula: C54 H34 Cl2 Fe N10 O2 S2
• Title of publication: Bis(formazanate) Iron(II) Complexes as Cathode Material for One-Compartment H2O2 Fuel Cell
• Authors of publication: Birara, Sunita; Majumder, Moumita; Metre, Ramesh K.
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 11.2395 ± 0.0004 Å
• b: 31.2736 ± 0.001 Å
• c: 13.8511 ± 0.0005 Å
• α: 90°
• β: 111.771 ± 0.001°
• γ: 90°
• Cell volume: 4521.4 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No