Information card for entry 1514585

Structure parameters

• Common name: ((IPr)AuNHiPr2)(BF4)
• Formula: C33 H51 Au B F4 N3
• Calculated formula: C33 H51 Au B F4 N3
• SMILES: [Au]([NH](C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[B](F)(F)(F)[F-]
• 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: 12.0547 ± 0.0006 Å
• b: 14.2387 ± 0.0007 Å
• c: 20.0505 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3441.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0122
• Residual factor for significantly intense reflections: 0.0118
• Weighted residual factors for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No