Information card for entry 7041810

Structure parameters

• Formula: C76 H84 Ag2 B2 N8 O2
• Calculated formula: C76 H84 Ag2 B2 N8 O2
• SMILES: CC(C)N1C2N(C=C1)C(N1C(N(C=C1)C(C)C)=[Ag]=C1N(C(C)C)C=CN1C(N1C(=[Ag]=2)N(C=C1)C(C)C)CO)CO.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.9899 ± 0.0007 Å
• b: 14.7429 ± 0.0009 Å
• c: 22.6289 ± 0.0014 Å
• α: 90°
• β: 100.939 ± 0.003°
• γ: 90°
• Cell volume: 3272.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0319
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No