Information card for entry 7210282

Structure parameters

• Formula: C20 H28 I4 Ru2
• Calculated formula: C20 H28 I4 Ru2
• SMILES: [c]12([cH]3[cH]4[Ru]56723([cH]([cH]15)[c]46C(C)C)([I][Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)(I)[I]7)I)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: 11.4318 ± 0.0009 Å
• b: 8.4683 ± 0.0007 Å
• c: 13.999 ± 0.0001 Å
• α: 90°
• β: 105.272 ± 0.0001°
• γ: 90°
• Cell volume: 1307.36 ± 0.15 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: 0.0434
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No