Information card for entry 4078660

Structure parameters

• Formula: C25 H18 Cl7 N3 O4 Ru2
• Calculated formula: C25 H18 Cl7 N3 O4 Ru2
• SMILES: [Ru]1234567([Ru]89([Cl]c%10c([NH]28)c(Cl)ccc%10)(Cl)(N(c2c(Cl)cccc2Cl)c2c(N39)c(Cl)ccc2)[O]=C(O1)C)[cH]1[cH]4[cH]5[cH]7[cH]61.O.[Cl-].O
• Title of publication: Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes
• Authors of publication: Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5282
• a: 10.178 ± 0.0017 Å
• b: 12.442 ± 0.002 Å
• c: 13.129 ± 0.002 Å
• α: 83.865 ± 0.004°
• β: 77.925 ± 0.004°
• γ: 69.202 ± 0.004°
• Cell volume: 1518.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No