Information card for entry 7021135

Structure parameters

• Formula: C36 H56 Br4 N8 O6
• Calculated formula: C36 H56 Br4 N8 O6
• SMILES: c1n2cc[n+]1Cn1c[n+](cc1)Cc1ccccc1Cn1c[n+](cc1)C[n+]1cn(cc1)Cc1ccccc1C2.OC.OC.OC.[Br-].[Br-].OC.OC.OC.[Br-].[Br-]
• Title of publication: Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.
• Authors of publication: Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7330 - 7337
• a: 13.002 ± 0.0004 Å
• b: 19.5502 ± 0.0006 Å
• c: 9.0187 ± 0.0003 Å
• α: 90°
• β: 107.397 ± 0.002°
• γ: 90°
• Cell volume: 2187.61 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No