Information card for entry 7051105

Structure parameters

• Formula: C23 H30 Cl2 N2 Ru
• Calculated formula: C23 H30 Cl2 N2 Ru
• SMILES: [Ru]123456(Cl)(Cl)[c]7([cH]1[c]2([cH]3[c]4([c]57CN1C6N(CC1)Cc1c(cc(cc1C)C)C)C)C)C
• Title of publication: First ruthenium complexes with a chelating arene carbene ligand as catalytic precursors for alkene metathesis and cycloisomerisation
• Authors of publication: Bekir Çetinkaya; Serpil Demir; Ismail Özdemir; Loïc Toupet; David Sémeril; Christian Bruneau; Pierre H. Dixneuf
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 519 - 521
• a: 8.023 ± 0.0001 Å
• b: 8.234 ± 0.0001 Å
• c: 33.321 ± 0.0005 Å
• α: 90°
• β: 90.401 ± 0.0005°
• γ: 90°
• Cell volume: 2201.18 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No