Information card for entry 7039821

Structure parameters

• Formula: C16 H22 Br2 N4 O2
• Calculated formula: C16 H22 Br2 N4 O2
• SMILES: [Br-].[Br-].C1n2c[n+](cc2)Cc2c(cccc2)Cn2c[n+](cc2)C1.O.O
• Title of publication: Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.
• Authors of publication: Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12221 - 12236
• a: 8.1485 ± 0.0006 Å
• b: 14.5332 ± 0.0012 Å
• c: 15.436 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.48595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No