Information card for entry 7720464

Structure parameters

• Formula: C16 H15 Fe2 O5 P S2
• Calculated formula: C16 H15 Fe2 O5 P S2
• Title of publication: Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.
• Authors of publication: Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1915 - 1922
• a: 9.5053 ± 0.0003 Å
• b: 9.6893 ± 0.0003 Å
• c: 21.8776 ± 0.0007 Å
• α: 90°
• β: 101.887 ± 0.003°
• γ: 90°
• Cell volume: 1971.71 ± 0.11 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0408
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No