Information card for entry 2217435

Structure parameters

• Chemical name: μ-Pyrazine-2,5-dicarboxylato-bis[chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)] <i>tert</i>-butanol disolvate
• Formula: C34 H50 Cl2 N2 O6 Ru2
• Calculated formula: C34 H50 Cl2 N2 O6 Ru2
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456([n]2cc3[n](cc2C(=O)O1)[Ru]12456([c]7([cH]1[cH]2[c]4([cH]5[cH]67)C)C(C)C)(OC3=O)Cl)Cl)C)C(C)C.OC(C)(C)C.OC(C)(C)C
• Title of publication: μ-Pyrazine-2,5-dicarboxylato-bis[chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)] <i>tert</i>-butanol disolvate
• Authors of publication: Sanchez Ballester, Noelia M.; Elsegood, Mark R. J.; Smith, Martin B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m309 - m310
• a: 9.8483 ± 0.0002 Å
• b: 11.3968 ± 0.0003 Å
• c: 16.3448 ± 0.0003 Å
• α: 90°
• β: 91.465 ± 0.002°
• γ: 90°
• Cell volume: 1833.93 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes