Information card for entry 4082410

Structure parameters

• Chemical name: CpRu(Tpmd)AuCl
• Formula: C15 H14 Au Cl N6 Ru
• Calculated formula: C15 H14 Au Cl N6 Ru
• SMILES: [Au](Cl)C12n3[n]([Ru]4567([n]8n1ccc8)([n]1n2ccc1)[cH]1[cH]4[cH]5[cH]6[cH]71)ccc3
• 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: 18.965 ± 0.004 Å
• b: 7.5657 ± 0.0015 Å
• c: 12.841 ± 0.003 Å
• α: 90°
• β: 110.62 ± 0.03°
• γ: 90°
• Cell volume: 1724.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No