Information card for entry 7035283

Structure parameters

• Formula: C52 H52 Au Cl N4 O2 P2 Ru
• Calculated formula: C52 H52 Au Cl N4 O2 P2 Ru
• SMILES: [Au](Cl)=C1N2C([Ru]34([P](CN5C=4N(C=C5)c4c(cc(cc4C)C)C)(c4ccccc4)c4ccccc4)([P](C2)(c2ccccc2)c2ccccc2)[O]=C(O3)C)=CN1c1c(cc(cc1C)C)C
• Title of publication: Ru-Ag and Ru-Au dicarbene complexes from an abnormal carbene ruthenium system.
• Authors of publication: Bitzer, Mario J.; Pöthig, Alexander; Jandl, Christian; Kühn, Fritz E; Baratta, Walter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11686 - 11689
• a: 16.5689 ± 0.0008 Å
• b: 16.4932 ± 0.0009 Å
• c: 19.4827 ± 0.001 Å
• α: 90°
• β: 109.963 ± 0.003°
• γ: 90°
• Cell volume: 5004.2 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No