Information card for entry 2200684

Structure parameters

• Chemical name: mer,trans-{2,6-bis[(dimethylamino)methyl]pyridine}dichloropyridineruthenium(II) toluene solvate
• Formula: C23 H32 Cl2 N4 Ru
• Calculated formula: C23 H32 Cl2 N4 Ru
• SMILES: [Ru]12(Cl)(Cl)([n]3c(cccc3C[N]2(C)C)C[N]1(C)C)[n]1ccccc1.c1(ccccc1)C
• Title of publication: [<i>mer,trans</i>-(NN'N)RuCl~2~(NC~5~H~5~)]·C~7~H~8~ {NN'N = 2,6-bis-[(dimethylamino)methyl]pyridine}
• Authors of publication: Back, Stephan; Rheinwald, Gerd; del Río, Ignacio; van Koten, Gerard; Lang, Heinrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m444 - m445
• a: 12.7109 ± 0.0001 Å
• b: 14.1115 ± 0.0002 Å
• c: 27.0317 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4848.67 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes