Information card for entry 7008497

Structure parameters

• Common name: trans- dichloro(dimethylsulfoxide)(indazole)amidineruthenium(ii) acetonitrile
• Chemical name: trans-dichloro(dimethylsulfoxide)(indazole)amidineruthenium(II) acetonitrile
• Formula: C20 H24 Cl2 N6 O Ru S
• Calculated formula: C20 H24 Cl2 N6 O Ru S
• SMILES: [Ru]1(Cl)(Cl)([S](=O)(C)C)([n]2n(c3c(c2)cccc3)C(=[NH]1)C)[n]1[nH]c2c(c1)cccc2.N#CC
• 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: 12.235 ± 0.002 Å
• b: 14.8 ± 0.003 Å
• c: 13.614 ± 0.003 Å
• α: 90°
• β: 105.69 ± 0.03°
• γ: 90°
• Cell volume: 2373.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No