Information card for entry 7714902

Structure parameters

• Formula: C12 H18 Au Cl N4 O5
• Calculated formula: C12 H18 Au Cl N4 O5
• Title of publication: Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
• Authors of publication: Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 1942 - 1946
• a: 3.6946 ± 0.0005 Å
• b: 20.679 ± 0.002 Å
• c: 10.734 ± 0.0011 Å
• α: 90°
• β: 99.603 ± 0.011°
• γ: 90°
• Cell volume: 808.59 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No