Information card for entry 4336672

Structure parameters

• Formula: C37.5 H47.5 Cl8.5 Fe2 N4 S Sn2
• Calculated formula: C37.5 H47.5 Cl8.5 Fe2 N4 S Sn2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=N\[N]1=C(C)CC(C)(C)[Sn]1(S[Sn]1(C(CC(C)=[N]1/N=C(/[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C)(C)C)(Cl)Cl)(Cl)Cl)/C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation
• Authors of publication: Zhiliang You; Stefanie Dehnen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12332 - 12334
• a: 16.402 ± 0.01 Å
• b: 17.897 ± 0.001 Å
• c: 17.528 ± 0.014 Å
• α: 90 ± 0°
• β: 115.99 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 4625 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No