Information card for entry 2236659

Structure parameters

• Chemical name: <i>trans</i>-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate
• Formula: C18 H20 Cl6 N8 Ru
• Calculated formula: C18 H20 Cl6 N8 Ru
• SMILES: C(Cl)Cl.[Ru]([n]1ccncc1)([n]1ccncc1)(Cl)([n]1ccncc1)([n]1ccncc1)Cl.C(Cl)Cl
• Title of publication: <i>trans</i>-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate
• Authors of publication: Nesterov, Vladimir N.; Khan, Wajiha; Rangel, Alexandra E.; Smucker, Bradley W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1193
• a: 7.3059 ± 0.0002 Å
• b: 7.3059 ± 0.0002 Å
• c: 47.3659 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2528.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes