Information card for entry 4102226

Structure parameters

• Formula: C72 H98 Ag4 F24 N18 P4
• Calculated formula: C72 H98 Ag4 F24 N18 P4
• SMILES: [Ag]1=C2N(C=CN2CCCC)c2c3N4C(=[Ag]=C5N(c6c(N7C=1N(C=C7)CCCC)cc1N7C(=[Ag]=C8N(c(c(N9C(=[Ag]=C%10N(c1c6)C=CN%10CCCC)N(C=C9)CCCC)c3)c2)C=CN8CCCC)N(C=C7)CCCC)C=CN5CCCC)N(C=C4)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Self-Assembly of Molecular Cylinders from Polycarbene Ligands and AgI or AuI
• Authors of publication: Arnab Rit; Tania Pape; F. Ekkehardt Hahn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4572 - 4573
• a: 13.6501 ± 0.0006 Å
• b: 34.1296 ± 0.0014 Å
• c: 20.1054 ± 0.0008 Å
• α: 90°
• β: 99.195 ± 0.001°
• γ: 90°
• Cell volume: 9246.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0952
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No