Information card for entry 7210284

Structure parameters

• Formula: C18 H20 Cl4 Ru2
• Calculated formula: C18 H20 Cl4 Ru2
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]67[c]1(CCC6)[Ru]123457(Cl)[Cl][Ru]23456([cH]7[cH]2[cH]3[cH]4[c]25[c]67CCC2)(Cl)[Cl]1
• Title of publication: Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2
• Authors of publication: Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 6722
• a: 7.55 ± 0.005 Å
• b: 16.543 ± 0.005 Å
• c: 7.885 ± 0.005 Å
• α: 90°
• β: 103.431 ± 0.005°
• γ: 90 ± 0.05°
• Cell volume: 957.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No