Information card for entry 7034262

Structure parameters

• Formula: C30 H32 Cl3 N2 Rh
• Calculated formula: C30 H32 Cl3 N2 Rh
• SMILES: Cl[Rh]123(=C4N(c5ccccc5N4c4c(cccc4)C)c4c(cccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.C(Cl)Cl
• Title of publication: Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins.
• Authors of publication: Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9744 - 9755
• a: 12.303 ± 0.002 Å
• b: 10.941 ± 0.002 Å
• c: 21.492 ± 0.004 Å
• α: 90°
• β: 106.131 ± 0.002°
• γ: 90°
• Cell volume: 2779.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No