Information card for entry 1514590

Structure parameters

• Common name: npm023
• Chemical name: npm023
• Formula: C37 H59 Au B Cl4 F4 N2 P
• Calculated formula: C37 H59 Au B Cl4 F4 N2 P
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]P(C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl.[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: 11.9915 ± 0.0006 Å
• b: 12.2396 ± 0.0006 Å
• c: 16.7165 ± 0.0009 Å
• α: 96.555 ± 0.001°
• β: 108.386 ± 0.001°
• γ: 105.096 ± 0.001°
• Cell volume: 2195.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No