Information card for entry 2241075

Structure parameters

• Chemical name: Bis[μ-(4-methoxyphenyl)methanethiolato-κ^2^<i>S</i>:<i>S</i>]\ bis[chlorido(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] chloroform disolvate
• Formula: C38 H48 Cl8 O2 Ru2 S2
• Calculated formula: C38 H48 Cl8 O2 Ru2 S2
• SMILES: C(c1ccc(cc1)OC)[S]1[Ru]23456([S](Cc7ccc(cc7)OC)[Ru]789%10%111([c]1([cH]7[cH]8[c]9([cH]%10[cH]%111)C)C(C)C)Cl)([c]1([cH]2[cH]3[c]4(C)[cH]5[cH]61)C(C)C)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Crystal structure of bis[μ-(4-methoxyphenyl)methanethiolato-κ^2^<i>S</i>:<i>S</i>]bis[chlorido(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] chloroform disolvate
• Authors of publication: Stíbal, David; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: 1216 - 1218
• a: 10.034 ± 0.002 Å
• b: 10.07 ± 0.002 Å
• c: 12.124 ± 0.002 Å
• α: 112.75 ± 0.03°
• β: 95.58 ± 0.03°
• γ: 98.51 ± 0.03°
• Cell volume: 1101.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.053
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes