Information card for entry 4082411

Structure parameters

• Chemical name: CpRu(Tpmd)CuAc
• Formula: C17 H17 Cu N6 O2 Ru
• Calculated formula: C17 H17 Cu N6 O2 Ru
• SMILES: [Ru]123456([n]7n(C([Cu]OC(=O)C)(n8[n]1ccc8)n1[n]2ccc1)ccc7)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands
• Authors of publication: González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 941
• a: 12.071 ± 0.002 Å
• b: 8.8939 ± 0.0018 Å
• c: 17.045 ± 0.003 Å
• α: 90°
• β: 105.24 ± 0.03°
• γ: 90°
• Cell volume: 1765.6 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No