Information card for entry 7041808

Structure parameters

• Formula: C84 H108 Ag2 B2 N8 O6 S4
• Calculated formula: C84 H108 Ag2 B2 N8 O6 S4
• SMILES: O=S(C)C.S(C)(C)=O.[Ag]1=C2N(C(C)C)C=CN2C(N2C(N(C=C2)C(C)C)=[Ag]=C2N(C(C)C)C=CN2C(N2C=1N(C=C2)C(C)C)CO)CO.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=S(C)C.O=S(C)C
• Title of publication: Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.
• Authors of publication: Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2722 - 2735
• a: 10.98 ± 0.002 Å
• b: 14.28 ± 0.003 Å
• c: 14.447 ± 0.003 Å
• α: 102.95 ± 0.011°
• β: 98.253 ± 0.011°
• γ: 109.318 ± 0.011°
• Cell volume: 2024.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No