Information card for entry 7006210

Structure parameters

• Formula: C38 H39 Cl9 N2 Ru
• Calculated formula: C38 H39 Cl9 N2 Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C=C=C(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Exploring new synthetic strategies in the development of a chemically activated Ru-based olefin metathesis catalyst.
• Authors of publication: Ledoux, Nele; Drozdzak, Renata; Allaert, Bart; Linden, Anthony; Van Der Voort, Pascal; Verpoort, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 5201 - 5210
• a: 16.3423 ± 0.0002 Å
• b: 15.4543 ± 0.0003 Å
• c: 16.7195 ± 0.0002 Å
• α: 90°
• β: 93.733 ± 0.001°
• γ: 90°
• Cell volume: 4213.7 ± 0.11 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No