Information card for entry 1568251

Structure parameters

• Formula: C96 H88 Ag2 B2 N8 O4
• Calculated formula: C96 H88 Ag2 B2 N8 O4
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12cccc3c4cc(ccc4)c4[n]5c(ccc4)C=[N]4CCOCCOCC[N]6[Ag]54[n]4c(cccc4c4cc(ccc4)c4[n]5[Ag]7([n]13)[N](CCOCCOCC[N]7=Cc5ccc4)=C2)C=6.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Transient self-assembly of metal-organic complexes.
• Authors of publication: Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1244 - 1251
• a: 17.5943 ± 0.0009 Å
• b: 21.9079 ± 0.0009 Å
• c: 21.0813 ± 0.001 Å
• α: 90°
• β: 104.382 ± 0.003°
• γ: 90°
• Cell volume: 7871.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No