Information card for entry 2241135

Structure parameters

• Chemical name: Acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)
• Formula: C24 H26 F12 N4 Ru Sb2
• Calculated formula: C24 H26 F12 N4 Ru Sb2
• SMILES: [Ru]123456([n]7c([N]8=C1Cc1ccccc81)nccc7)([N]#CC)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.[Sb](F)(F)([F-])(F)(F)F.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Crystal structure of acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)
• Authors of publication: Sollert, Carina; Orthaber, Andreas; Pilarski, Lukasz T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: 1190 - 1192
• a: 16.6046 ± 0.0008 Å
• b: 15.5955 ± 0.0007 Å
• c: 23.2786 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6028.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes