Information card for entry 7035202

Structure parameters

• Formula: C38 H57 Cl2 N2 P Ru
• Calculated formula: C38 H57 Cl2 N2 P Ru
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=Cc1ccccc1)=C1N(CCN1c1c(cc(cc1C)C)C)C
• Title of publication: Ruthenium indenylidene complexes bearing N-alkyl/N-mesityl-substituted N-heterocyclic carbene ligands.
• Authors of publication: Yu, Baoyi; Hamad, Fatma B.; Sels, Bert; Van Hecke, Kristof; Verpoort, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11835 - 11842
• a: 11.9873 ± 0.0005 Å
• b: 12.0758 ± 0.0004 Å
• c: 13.9907 ± 0.0006 Å
• α: 67.575 ± 0.004°
• β: 84.781 ± 0.003°
• γ: 74.448 ± 0.003°
• Cell volume: 1803.4 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0458
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No