Information card for entry 7002614

Structure parameters

• Formula: C36 H66 B20 Cl4 N4 Ru2 S4
• Calculated formula: C36 H66 B20 Cl4 N4 Ru2 S4
• SMILES: C1(N(C=CN1CCN1C(N(C=C1)C)=[Ru]123456([c]7([cH]1[cH]3[c]4([cH]5[cH]67)C(C)C)C)S[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%101[BH]%11%12%13[BH]%14%1567)[C]5834S2)C)=[Ru]123456([c]7([cH]1[cH]2[c]5([cH]6[cH]37)C(C)C)C)S[C]1235[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%162[BH]236[BH]379[BH]6%11%13[BH]%14%151[BH]%16236)[C]58%10%12S4.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis, structure and transmetalation of N-heterocyclic carbene complex of silver. Evidence of halogen exchange during the synthetic process
• Authors of publication: Xiao, Xu-Qiong; Jin, Guo-Xin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9298
• a: 10.917 ± 0.002 Å
• b: 11.832 ± 0.002 Å
• c: 11.884 ± 0.002 Å
• α: 85.27 ± 0.03°
• β: 85.06 ± 0.03°
• γ: 69.45 ± 0.03°
• Cell volume: 1429.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No