Information card for entry 7105398

Structure parameters

• Formula: C10 H9 Cl3 Fe Sn
• Calculated formula: C10 H9 Cl3 Fe Sn
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Sn](Cl)(Cl)Cl
• Title of publication: Synthesis and reactivity of ferrocenyl functionalized Sn/S cages
• Authors of publication: Pöhlker, Christopher; Schellenberg, Inga; Pöttgen, Rainer; Dehnen, Stefanie
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2605
• a: 6.8102 ± 0.0005 Å
• b: 9.7487 ± 0.0006 Å
• c: 18.6877 ± 0.0015 Å
• α: 90°
• β: 100.404 ± 0.006°
• γ: 90°
• Cell volume: 1220.29 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No