Information card for entry 1515514

Structure parameters

• Formula: C46 H50 Au Cl4 F6 N10 O2 P
• Calculated formula: C46 H50 Au Cl4 F6 N10 O2 P
• SMILES: [Au](Cl)[Cl-].[Cl-].[Cl-].[P](F)(F)(F)(F)(F)[F-].O=CN(C)C.O=CN(C)C.n12c[n+](cc1)Cc1ccc(Cn3c[n+](cc3)c3ccc(n4cc[n+](c4)Cc4ccc(Cn5c[n+](cc5)c5ccc2cc5)cc4)cc3)cc1
• Title of publication: A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly
• Authors of publication: Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 494
• a: 34.1635 ± 0.0006 Å
• b: 12.097 ± 0.0002 Å
• c: 12.7837 ± 0.0002 Å
• α: 90°
• β: 106.831 ± 0.0008°
• γ: 90°
• Cell volume: 5056.87 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No