Information card for entry 7035282

Structure parameters

• Formula: C104 H104 Ag2 Br2 N8 O4 P4 Ru2
• Calculated formula: C104 H104 Ag2 Br2 N8 O4 P4 Ru2
• SMILES: C1(N2C(=CN1c1c(cc(cc1C)C)C)[Ru]13([O]=C(O1)C)([P](C2)(c1ccccc1)c1ccccc1)[P](CN1C=3N(C=C1)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)=[Ag]=C1N2C(=CN1c1c(cc(cc1C)C)C)[Ru]13([O]=C(O1)C)([P](C2)(c1ccccc1)c1ccccc1)[P](CN1C=3N(C=C1)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1.[Ag](Br)[Br-]
• 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: 17.5519 ± 0.0005 Å
• b: 28.344 ± 0.0007 Å
• c: 21.9816 ± 0.0009 Å
• α: 90°
• β: 103.863 ± 0.002°
• γ: 90°
• Cell volume: 10617.1 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No