Information card for entry 1514586

Structure parameters

• Common name: (IPr)AuNHPh*THF
• Formula: C37 H50 Au N3 O
• Calculated formula: C37 H50 Au N3 O
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)Nc1ccccc1.C1CCCO1
• 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: 12.5675 ± 0.0007 Å
• b: 19.0611 ± 0.001 Å
• c: 14.9662 ± 0.0008 Å
• α: 90°
• β: 108.971 ± 0.001°
• γ: 90°
• Cell volume: 3390.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No