Information card for entry 2235224

Structure parameters

• Chemical name: Bis(4'-chloro-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate
• Formula: C30 H24 Cl4 N6 O2 Ru
• Calculated formula: C30 H24 Cl4 N6 O2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(Cl)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(Cl)c1)c1[n]4cccc1.O.O.[Cl-].[Cl-]
• Title of publication: Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate
• Authors of publication: Wang, Ying; Jiao, Rui; Qiu, Xiang-Lei; Wang, Jian; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m777 - m778
• a: 10.1367 ± 0.0005 Å
• b: 16.2964 ± 0.0007 Å
• c: 17.8995 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2956.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes