Information card for entry 2022981

Structure parameters

• Chemical name: [1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(2-{[(2-methoxyethyl)(methyl)amino]methyl}benzylidene)ruthenium
• Formula: C33 H43 Cl2 N3 O Ru
• Calculated formula: C33 H43 Cl2 N3 O Ru
• Title of publication: Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-(2-{[(2-methoxyeth-yl)(meth-yl)amino]-meth-yl}benzyl-idene)ruth-en-ium.
• Authors of publication: Mammadova, Gunay Z.; Atioğlu, Zeliha; Akkurt, Mehmet; Grigoriev, Mikhail S.; Volchkov, Nikita S.; Azizova, Asmet N.; Bhattarai, Ajaya; Antonova, Alexandra S.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 50 - 53
• a: 13.6801 ± 0.0013 Å
• b: 10.7078 ± 0.0011 Å
• c: 22.035 ± 0.002 Å
• α: 90°
• β: 102.553 ± 0.004°
• γ: 90°
• Cell volume: 3150.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes