Information card for entry 2220526

Structure parameters

• Chemical name: 1,3-Bis(thiophen-2-ylmethyl)-3,4,5,6-tetrahydropyrimidinium trichlorido(η^6^-<i>p</i>-cymene)ruthenate(II)
• Formula: C24 H31 Cl3 N2 Ru S2
• Calculated formula: C24 H31 Cl3 N2 Ru S2
• SMILES: [Ru]12345(Cl)(Cl)(Cl)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.s1c(CN2C=[N+](CCC2)Cc2sccc2)ccc1
• Title of publication: 1,3-Bis(thiophen-2-ylmethyl)-3,4,5,6-tetrahydropyrimidinium trichlorido(η^6^-<i>p</i>-cymene)ruthenate(II)
• Authors of publication: Arslan, Hakan; VanDerveer, Don; Özdemir, İsmail; Gürbüz, Nevin; Gök, Yetkin; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m111 - m112
• a: 9.989 ± 0.002 Å
• b: 11.404 ± 0.002 Å
• c: 12.922 ± 0.003 Å
• α: 82.1 ± 0.03°
• β: 67.61 ± 0.03°
• γ: 72.59 ± 0.03°
• Cell volume: 1298.2 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes