Information card for entry 4324834

Structure parameters

• Formula: C44 H28 Cl10 N6 Ru2
• Calculated formula: C44 H28 Cl10 N6 Ru2
• SMILES: c12c(Cl)cccc1N(c1c(Cl)cccc1)[Ru]1(N2)([NH2]c2c(cccc2)Cl)([Cl][Ru]2(Nc3c(cccc3N2c2ccccc2Cl)Cl)([NH2]c2c(cccc2)Cl)(Cl)[Cl]1)Cl.Cc1ccc(C)cc1
• Title of publication: Tuning of the o-Carom-N Bond-Formation Reactivity of Aniline Using Ruthenium(II) Templates
• Authors of publication: Subhas Samanta; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3171 - 3173
• a: 9.4064 ± 0.0005 Å
• b: 10.2603 ± 0.0005 Å
• c: 12.5756 ± 0.0009 Å
• α: 81.515 ± 0.001°
• β: 85.231 ± 0.001°
• γ: 85.604 ± 0.001°
• Cell volume: 1193.71 ± 0.12 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: 0.0328
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No