Information card for entry 4083408

Structure parameters

• Formula: C67 H52 Cl2 O10 Ru2
• Calculated formula: C67.003 H52.006 Cl2.006 O10 Ru2
• SMILES: [Ru]1234(C#[O])(C#[O])([c]5([O-])[c]3([c]2([c]1([c]45c1ccccc1)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccccc1)[H][Ru]1234(C#[O])(C#[O])[c]5(c6ccc(cc6)OC)[c]1(c1ccccc1)[c]2([c]3(c1ccccc1)[c]45c1ccc(cc1)OC)O.C(Cl)Cl
• Title of publication: Microwave-Assisted Synthesis of Functionalized Shvo-Type Complexes
• Authors of publication: Cesari, Cristiana; Sambri, Letizia; Zacchini, Stefano; Zanotti, Valerio; Mazzoni, Rita
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2814
• a: 11.5361 ± 0.0019 Å
• b: 17.408 ± 0.003 Å
• c: 17.936 ± 0.005 Å
• α: 118.895 ± 0.003°
• β: 97.62 ± 0.003°
• γ: 101.411 ± 0.002°
• Cell volume: 2979.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No