Information card for entry 7008495

Structure parameters

• Common name: trans,trans,trans- dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(ii)
• Chemical name: trans,trans,trans-dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(II)
• Formula: C22 H36 Cl2 N4 O4 Ru S4
• Calculated formula: C22 H36 Cl2 N4 O4 Ru S4
• SMILES: O=[S]([Ru]([n]1cc2ccccc2[nH]1)([n]1cc2ccccc2[nH]1)([S](C)(C)=O)(Cl)Cl)(C)C.S(C)(C)=O.O=S(C)C
• Title of publication: Isomeric [RuCl2(dmso)2(indazole)2] complexes: ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole.
• Authors of publication: Reisner, Erwin; Arion, Vladimir B.; Rufińska, Anna; Chiorescu, Ion; Schmid, Wolfgang F.; Keppler, Bernhard K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2355 - 2364
• a: 27.0678 ± 0.0005 Å
• b: 7.8991 ± 0.0005 Å
• c: 14.0096 ± 0.0003 Å
• α: 90°
• β: 94.1198 ± 0.0012°
• γ: 90°
• Cell volume: 2987.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No