Information card for entry 7041938

Structure parameters

• Formula: C10 H10 Fe2 O6 Se2 Sn
• Calculated formula: C10 H10 Fe2 O6 Se2 Sn
• SMILES: [Fe]12([Fe]3([Se]1C[Sn](C[Se]23)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Selenium makes the difference: protonation of [FeFe]-hydrogenase mimics with diselenolato ligands.
• Authors of publication: Abul-Futouh, Hassan; El-Khateeb, Mohammad; Görls, Helmar; Asali, Khalil Jamil; Weigand, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2937 - 2947
• a: 9.1082 ± 0.0002 Å
• b: 9.9385 ± 0.0002 Å
• c: 10.4292 ± 0.0002 Å
• α: 64.181 ± 0.001°
• β: 84.863 ± 0.001°
• γ: 88.364 ± 0.002°
• Cell volume: 846.36 ± 0.03 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0196
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No