Information card for entry 1574499

Structure parameters

• Formula: C40 H61 Cl4 N4 P3 Ru2
• Calculated formula: C40 H61 Cl4 N4 P3 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11([Cl]1)(P12=NP(Cl)(Cl)=NP(=N1)=C1N(c2c(C(C)C)cccc2C(C)C)C(CC1(C)C)(C)C)([Cl]3)[c]1([c]%11([c]9([c]%10([c]81C)C)C)C)C)[c]1([c]4([c]7([c]5([c]61C)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: 11.5068 ± 0.0011 Å
• b: 15.2965 ± 0.0015 Å
• c: 16.8157 ± 0.0016 Å
• α: 115.819 ± 0.003°
• β: 91.208 ± 0.003°
• γ: 106.688 ± 0.003°
• Cell volume: 2515.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No