Information card for entry 4338089

Structure parameters

• Chemical name: [(RcAcN=NCMeCH2CMe2Sn)4Sn2S10]
• Formula: C72 H92 N8 Ru4 S10 Sn6
• Calculated formula: C72 H92 N8 Ru4 S10 Sn6
• SMILES: CC1(C)CC(C)=[N](/N=C(\C)[c]23[cH]4[cH]5[cH]6[cH]2[Ru]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)[Sn]231S[Sn]14(S[Sn]56(S1)S[Sn]17(C(C)(C)CC(C)=[N]1/N=C(C)/[c]18[cH]9[cH]%10[cH]%11[cH]1[Ru]1%12%13%1489%10%11[cH]8[cH]1[cH]%12[cH]%13[cH]%148)S[Sn]1([N](/N=C(C)/[c]89[cH]%10[cH]%11[cH]%12[cH]8[Ru]8%13%14%159%10%11%12[cH]9[cH]%15[cH]%14[cH]%13[cH]89)=C(CC1(C)C)C)([S]57)S6)[S]3[Sn]1([N](/N=C(\C)[c]35[cH]6[cH]7[cH]8[cH]3[Ru]39%10%115678[cH]5[cH]%11[cH]%10[cH]9[cH]35)=C(CC1(C)C)C)(S2)S4
• Title of publication: Synthesis, crystal structure, and photoluminescence studies of a ruthenocenyl-decorated sn/s cluster.
• Authors of publication: Leusmann, Eliza; Wagner, Mona; Rosemann, Nils W.; Chatterjee, Sangam; Dehnen, Stefanie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4228 - 4233
• a: 11.3247 ± 0.0008 Å
• b: 11.4359 ± 0.0008 Å
• c: 21.0917 ± 0.0015 Å
• α: 95.154 ± 0.006°
• β: 102.536 ± 0.005°
• γ: 92.727 ± 0.006°
• Cell volume: 2649.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0609
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No