Information card for entry 7022784

Structure parameters

• Formula: C96 H144 Ag6 N6 O18 S6
• Calculated formula: C96 H144 Ag6 N6 O18 S6
• SMILES: [NH2+](C(C)C)C(C)C.[Ag]1234OC(=O)C(=C\c5ccc(cc5)OC)\[S]1[Ag]153[Ag]36(OC(=O)C(=C\c7ccc(cc7)OC)\[S]3[Ag]376[Ag]68(OC(=O)C(=C\c9ccc(cc9)OC)\[S]6[Ag]648OC(=O)/C(=C/c4ccc(cc4)OC)[S]26)[S]7C(=C\c2ccc(cc2)OC)/C(=O)O3)[S]5C(=C\c2ccc(cc2)OC)/C(=O)O1.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C
• Title of publication: A novel hexanuclear silver(I) cluster containing a regular Ag6 ring with short Ag-Ag distances and an argentophilic interaction.
• Authors of publication: Barreiro, Elena; Casas, José S; Couce, María D; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Sánchez, Agustin; Sordo, José; Vázquez López, Ezequiel M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5916 - 5923
• a: 15.313 ± 0.002 Å
• b: 15.313 ± 0.002 Å
• c: 43.69 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8872 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No