Information card for entry 1514584

Structure parameters

• Common name: IPrAuNiPr2
• Formula: C33 H50 Au N3
• Calculated formula: C33 H50 Au N3
• SMILES: [Au](N(C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Preparation and reactivity of terminal gold(i) amides and phosphides
• Authors of publication: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1023
• a: 12.5384 ± 0.001 Å
• b: 13.4689 ± 0.0011 Å
• c: 19.1735 ± 0.0015 Å
• α: 90°
• β: 93.373 ± 0.001°
• γ: 90°
• Cell volume: 3232.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No