Information card for entry 7717920

Structure parameters

• Formula: C61 H38 Cl2 Fe N10 S2
• Calculated formula: C61 H38 Cl2 Fe N10 S2
• Title of publication: Bis(formazanate) iron(II) complexes as cathode materials for one-compartment H₂O₂ fuel cells.
• Authors of publication: Birara, Sunita; Majumder, Moumita; Metre, Ramesh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4120 - 4134
• a: 12.155 ± 0.003 Å
• b: 14.292 ± 0.003 Å
• c: 16.758 ± 0.004 Å
• α: 114.981 ± 0.005°
• β: 97.046 ± 0.006°
• γ: 101.32 ± 0.006°
• Cell volume: 2517.4 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0923
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No