Information card for entry 7720465

Structure parameters

• Formula: C38 H32 B F10 Fe2 Na O9 S2
• Calculated formula: C38 H32 B F10 Fe2 Na O9 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: 9.4643 ± 0.0009 Å
• b: 19.6751 ± 0.0016 Å
• c: 11.7454 ± 0.001 Å
• α: 90°
• β: 106.553 ± 0.01°
• γ: 90°
• Cell volume: 2096.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.3651
• Weighted residual factors for all reflections included in the refinement: 0.3701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No