Information card for entry 7060374

Structure parameters

• Formula: C27 H25 Fe2 O5 P S2 Sn
• Calculated formula: C27 H25 Fe2 O5 P S2 Sn
• SMILES: [Sn]1(C[S]2[Fe]3([Fe]2([S]3C1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C)C
• Title of publication: Ligand effects on structural, protophilic and reductive features of stannylated dinuclear iron dithiolato complexes
• Authors of publication: Abul-Futouh, Hassan; Almazahreh, Laith R.; Abaalkhail, Sara J.; Görls, Helmar; Stripp, Sven T.; Weigand, Wolfgang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 36 - 44
• a: 9.7998 ± 0.0002 Å
• b: 10.5057 ± 0.0002 Å
• c: 16.7575 ± 0.0003 Å
• α: 106.986 ± 0.001°
• β: 91.93 ± 0.001°
• γ: 114.973 ± 0.001°
• Cell volume: 1470.99 ± 0.05 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No