Information card for entry 7042007

Structure parameters

• Formula: C22 H26 Au Br N4 O2
• Calculated formula: C22 H26 Au Br N4 O2
• SMILES: [Au](=C1N(c2c(cccc2)N1CC)CCO)=C1N(c2c(cccc2)N1CC)CCO.[Br-]
• Title of publication: Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.
• Authors of publication: Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2988 - 2997
• a: 13.4734 ± 0.001 Å
• b: 14.2194 ± 0.001 Å
• c: 11.8904 ± 0.0008 Å
• α: 90°
• β: 96.142 ± 0.006°
• γ: 90°
• Cell volume: 2264.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1482
• Residual factor for significantly intense reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.3493
• Weighted residual factors for all reflections included in the refinement: 0.3503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No