Information card for entry 4089671

Structure parameters

• Formula: C72 H84 Ag6 B6 F24 N24
• Calculated formula: C72 H84 Ag6 N24
• SMILES: c12c3c4N5C(N(C=C5)CC)=[Ag]=C5N(c6c(c(c7c8c6N6C(=[Ag]=C9N(c4c(c2N2C(=[Ag]=C4N7C=CN4CC)N(C=C2)CC)N2C(=[Ag]=C4N8C=CN4CC)N(C=C2)CC)C=CN9CC)N(C=C6)CC)N2C(=[Ag]=C4N1C=CN4CC)N(C=C2)CC)N1C(=[Ag]=C2N3C=CN2CC)N(C=C1)CC)C=CN5CC
• Title of publication: Hexanuclear Cylinder-Shaped Assemblies of Silver and Gold from Benzene‒Hexa-N-heterocyclic Carbenes
• Authors of publication: Segarra, Candela; Guisado-Barrios, Gregorio; Hahn, F. Ekkehardt; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5077
• a: 22.967 ± 0.001 Å
• b: 28.073 ± 0.002 Å
• c: 16.298 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10508.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.276
• Weighted residual factors for all reflections included in the refinement: 0.3086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No