Information card for entry 4120931

Structure parameters

• Formula: C39 H59 Au Cl2 F6 N3 O Sb
• Calculated formula: C39 H59 Au Cl2 F6 N3 O Sb
• SMILES: [Au]([NH]1C2(OC)C[C@@H]3CC(C1)C[C@H](C2)C3)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Gold-Mediated Expulsion of Dinitrogen from Organic Azides
• Authors of publication: Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15479 - 15488
• a: 12.3193 ± 0.0006 Å
• b: 12.4746 ± 0.0006 Å
• c: 16.1379 ± 0.0008 Å
• α: 96.96 ± 0.001°
• β: 102.634 ± 0.001°
• γ: 114.233 ± 0.001°
• Cell volume: 2143.84 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No