Information card for entry 1574498

Structure parameters

• Formula: C30 H46 Cl5 N4 P3 Ru
• Calculated formula: C30 H46 Cl5 N4 P3 Ru
• SMILES: [Ru]1234([P]5(=NP(Cl)(Cl)=NP(Cl)(Cl)=N5)=C5N(c6c(cccc6C(C)C)C(C)C)C(CC5(C)C)(C)C)(Cl)C5([C]1(=[C]3(C4([C]25C)C)C)C)C
• 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: 20.7075 ± 0.0017 Å
• b: 16.7414 ± 0.0014 Å
• c: 21.1042 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7316.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No