Information card for entry 7210283

Structure parameters

• Formula: C20 H28 I4 Ru2
• Calculated formula: C20 H28 I4 Ru2
• SMILES: C([c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456([I][Ru]23456([c]7([cH]6[cH]5[c]4([cH]3[cH]27)C)C(C)C)([I]1)I)I)C)(C)C
• 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: 7.7049 ± 0.0007 Å
• b: 8.3452 ± 0.0007 Å
• c: 20.036 ± 0.002 Å
• α: 90°
• β: 92.797 ± 0.001°
• γ: 90°
• Cell volume: 1286.8 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No