Information card for entry 1514588

Structure parameters

• Common name: IPrAuPMes2
• Formula: C45 H58 Au N2 P
• Calculated formula: C45 H58 Au N2 P
• SMILES: [Au](P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 14.8187 ± 0.0006 Å
• b: 19.5498 ± 0.0008 Å
• c: 28.0267 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8119.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No