Information card for entry 7017582

Structure parameters

• Formula: C62 H82 Cl4 N4 O Ru2
• Calculated formula: C62 H82 Cl4 N4 O Ru2
• SMILES: C1(N(CCN1Cc1ccccc1C)Cc1ccccc1C)=[Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)(Cl)Cl.C(C)OCC
• Title of publication: Preparation of a series of Ru(ii) complexes with N-heterocyclic carbene ligands for the catalytic transfer hydrogenation of aromatic ketones.
• Authors of publication: Gürbüz, Nevin; Ozcan, Emine Özge; Ozdemir, Ismail; Cetinkaya, Bekir; Sahin, Onur; Büyükgüngör, Orhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2330 - 2339
• a: 15.5879 ± 0.0008 Å
• b: 13.1132 ± 0.0005 Å
• c: 30.0461 ± 0.0016 Å
• α: 90°
• β: 91.148 ± 0.004°
• γ: 90°
• Cell volume: 6140.4 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.2789
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No