Information card for entry 4088365

Structure parameters

• Common name: 18b in manuscript
• Formula: C22 H32 Au Cl N2
• Calculated formula: C22 H32 Au Cl N2
• SMILES: [Au](Cl)=C1N(CC=CN1c1c(cccc1C(C)C)C(C)C)C1CCCCC1
• Title of publication: Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route
• Authors of publication: Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1070
• a: 11.2485 ± 0.0013 Å
• b: 16.1658 ± 0.0018 Å
• c: 12.5996 ± 0.0014 Å
• α: 90°
• β: 90.103 ± 0.002°
• γ: 90°
• Cell volume: 2291.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No