Information card for entry 4120932

Structure parameters

• Formula: C37 H53 Au F6 N5 Sb
• Calculated formula: C37 H53 Au F6 N5 Sb
• SMILES: [Au]([N](=N#N)C1C2CC3CC1CC(C2)C3)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)([F-])F
• 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: 9.7961 ± 0.0008 Å
• b: 16.7771 ± 0.0013 Å
• c: 12.9004 ± 0.001 Å
• α: 90°
• β: 110.982 ± 0.002°
• γ: 90°
• Cell volume: 1979.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No