Information card for entry 4315846

Structure parameters

• Formula: C29 H23 Co F10 Fe2 N6 P6
• Calculated formula: C29 H23 Co F10 Fe2 N6 P6
• SMILES: [Co]1234567([cH]8[cH]1[cH]2[cH]3[cH]48)[C]1(=[C]7([C]6(=[C]51P1(F)=NP(F)(F)=NP(F)(F)=N1)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)P1(F)=NP(F)(F)=NP(F)(F)=N1
• Title of publication: Synthesis and Reactions of Ethynylferrocene-Derived Fluoro- and Chlorocyclotriphosphazenes
• Authors of publication: Karunesh Keshav; Nem Singh; Anil J. Elias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5753 - 5765
• a: 13.05 ± 0.002 Å
• b: 13.242 ± 0.002 Å
• c: 21.41 ± 0.003 Å
• α: 106.796 ± 0.003°
• β: 95.08 ± 0.003°
• γ: 90.957 ± 0.003°
• Cell volume: 3524.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No