Information card for entry 1574495

Structure parameters

• Formula: C20 H31 Au Cl5 N4 P3
• Calculated formula: C20 H31 Au Cl5 N4 P3
• SMILES: [Au]([P]1(=NP(Cl)(Cl)=NP(Cl)(Cl)=N1)=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)CC1(C)C)Cl
• Title of publication: Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene
• Authors of publication: LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9820 - 9832
• a: 8.9486 ± 0.0002 Å
• b: 16.9933 ± 0.0005 Å
• c: 18.8866 ± 0.0005 Å
• α: 90°
• β: 90.791 ± 0.002°
• γ: 90°
• Cell volume: 2871.74 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No