Information card for entry 4336670

Structure parameters

• Formula: C77 H102 Cl10 Fe4 N8 S10 Sn6
• Calculated formula: C77 H102 Cl10 Fe4 N8 S10 Sn6
• SMILES: C1(C)(C)CC(=[N](/N=C(\C)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)[Sn]231S[Sn]1(C(C)(C)CC(C)=[N]1/N=C(/C)[c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[cH]4[cH]%10[cH]9[cH]8[cH]14)(S[Sn]1(S[Sn]45([S]6[Sn]7(C(C)(C)CC(C)=[N]7/N=C(C)/[c]78[cH]9[cH]%10[cH]%11[cH]7[Fe]7%12%13%1489%10%11[cH]8[cH]7[cH]%12[cH]%13[cH]%148)(S[Sn]76(C(C)(C)CC(C)=[N]7/N=C(C)/[c]67[cH]8[cH]9[cH]%10[cH]6[Fe]6%11%12%13789%10[cH]7[cH]6[cH]%11[cH]%12[cH]%137)S5)S4)S1)S2)S3)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(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: 10.925 ± 0.002 Å
• b: 21.491 ± 0.004 Å
• c: 21.736 ± 0.004 Å
• α: 91.95 ± 0.03°
• β: 99.8 ± 0.03°
• γ: 96.02 ± 0.03°
• Cell volume: 4994.2 ± 1.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No