Information card for entry 7028572

Structure parameters

• Formula: C16 H15 Cl3 N5 Ru
• Calculated formula: C16 H15 Cl3 N5 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([n]2ccccc2c2[n]1c1c([nH]2)cccc1)[N]#CC.N#CC
• Title of publication: (Pyridyl)benzoazole ruthenium(II) and ruthenium(III) complexes: role of heteroatom and ancillary phosphine ligand in the transfer hydrogenation of ketones.
• Authors of publication: Ogweno, Aloice O.; Ojwach, Stephen O.; Akerman, Matthew P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1228 - 1237
• a: 8.6945 ± 0.0004 Å
• b: 9.5982 ± 0.0004 Å
• c: 11.3983 ± 0.0005 Å
• α: 102.453 ± 0.002°
• β: 90.168 ± 0.002°
• γ: 99.82 ± 0.002°
• Cell volume: 914.44 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No