Information card for entry 2009071

Structure parameters

• Chemical name: cis,trans-Bis(acetonitrile)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate
• Formula: C14 H15 Cl2 N4 O0.5 Ru
• Calculated formula: C14 H15 Cl2 N4 O0.5 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2ccccc2c2[n]1cccc2)([N]#CC)[N]#CC.O
• Title of publication: <i>cis</i>,<i>trans</i>-Bis(acetonitrile-<i>N</i>)(2,2'-bipyridine-<i>N</i>,<i>N</i>')dichlororuthenium(II) hemihydrate
• Authors of publication: Huh, Seong; Park, Seongsoon; Lough, Alan. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: IUC9900125
• a: 14.7482 ± 0.0008 Å
• b: 8.2538 ± 0.0006 Å
• c: 26.6697 ± 0.0013 Å
• α: 90°
• β: 100.42 ± 0.003°
• γ: 90°
• Cell volume: 3192.9 ± 0.3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No