Information card for entry 2213038

Structure parameters

• Chemical name: Dichlorido[1-(3,5-dimethylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolidin-2-\ ylidene]ruthenium
• Formula: C22 H28 Cl2 N2 Ru
• Calculated formula: C22 H28 Cl2 N2 Ru
• SMILES: C1CN2C(=[Ru]34567([c]8(C2)[c]3([cH]4[c]5([cH]6[c]78C)C)C)(Cl)Cl)N1Cc1cc(cc(c1)C)C
• Title of publication: Dichlorido[1-(3,5-dimethylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolidin-2-ylidene]ruthenium(II)
• Authors of publication: Arslan, Hakan; VanDerveer, Don; Yaşar, Sedat; Özdemir, İsmail; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m942 - m944
• a: 7.7916 ± 0.0016 Å
• b: 11.334 ± 0.002 Å
• c: 13.023 ± 0.003 Å
• α: 72.87 ± 0.03°
• β: 74.86 ± 0.03°
• γ: 88.98 ± 0.03°
• Cell volume: 1058.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes