Information card for entry 4088361

Structure parameters

• Common name: 8 in manuscript
• Formula: C30 H50 Au Cl N2
• Calculated formula: C30 H50 Au Cl N2
• SMILES: [Au](Cl)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)C1CCCCCCCCCCCCCC1
• 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: 9.0146 ± 0.001 Å
• b: 9.6658 ± 0.001 Å
• c: 19.561 ± 0.002 Å
• α: 80.2718 ± 0.0019°
• β: 77.666 ± 0.002°
• γ: 66.636 ± 0.002°
• Cell volume: 1521.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No