Information card for entry 7032090

Structure parameters

• Formula: C42 H52 Ag I N8
• Calculated formula: C42 H52 Ag I N8
• SMILES: c1(c(cccc1)CN(C)C)N1C(N(N=C1c1ccccc1)C(C)(C)C)=[Ag](I)=C1N(c2c(cccc2)CN(C)C)C(=NN1C(C)(C)C)c1ccccc1
• Title of publication: Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.
• Authors of publication: Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15465 - 15474
• a: 21.4227 ± 0.0011 Å
• b: 8.824 ± 0.0004 Å
• c: 23.7341 ± 0.0006 Å
• α: 90°
• β: 111.38 ± 0.004°
• γ: 90°
• Cell volume: 4177.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No