Information card for entry 7061271

Structure parameters

• Chemical name: Fe-bpc
• Formula: C21 H21 Cl2 Fe N5 O5.5
• Calculated formula: C21 H21 Cl2 Fe N5 O5.5
• Title of publication: A mono-oxo-bridged binuclear iron(iii) complex with a Fe–O–Fe angle of 180.0° and its catalytic activity for hydrogen evolution
• Authors of publication: Sun, Xia-Xing; Du, Juan; Tan, Jie-Jie; Zhan, Shu-Zhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3794 - 3799
• a: 9.6244 ± 0.0005 Å
• b: 10.9915 ± 0.0005 Å
• c: 12.4372 ± 0.0006 Å
• α: 70.037 ± 0.004°
• β: 71.256 ± 0.004°
• γ: 81.851 ± 0.004°
• Cell volume: 1170.29 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0661
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No