Information card for entry 7716048

Structure parameters

• Formula: C18 H18 Au Br N2 O
• Calculated formula: C18 H18 Au Br N2 O
• SMILES: C1(=[Au]Br)N(c2ccccc2)C(=C(C)N1OCc1ccccc1)C
• Title of publication: Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).
• Authors of publication: Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9323 - 9329
• a: 11.184 ± 0.003 Å
• b: 14.559 ± 0.005 Å
• c: 11.536 ± 0.004 Å
• α: 90°
• β: 105.929 ± 0.014°
• γ: 90°
• Cell volume: 1806.3 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No