Information card for entry 4064965

Structure parameters

• Formula: C33 H40 Cl6 N2 O2 Ru
• Calculated formula: C33 H40 Cl6 N2 O2 Ru
• SMILES: C1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ru]12(=Cc3ccccc3[O]1CC(C)=[O]2)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench
• Authors of publication: Bieniek, Michał; Samojłowicz, Cezary; Sashuk, Volodymyr; Bujok, Robert; Śledź, Paweł; Lugan, Noël; Lavigne, Guy; Arlt, Dieter; Grela, Karol
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4144
• a: 11.913 ± 0.009 Å
• b: 11.97 ± 0.007 Å
• c: 15.284 ± 0.01 Å
• α: 106.6 ± 0.04°
• β: 93.07 ± 0.05°
• γ: 117.141 ± 0.011°
• Cell volume: 1815 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0408
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No