Information card for entry 4315844

Structure parameters

• Formula: C24 H18 Cl4 Fe2 N3 P3
• Calculated formula: C24 H18 Cl4 Fe2 N3 P3
• SMILES: [cH]12[cH]3[cH]4[Fe]5678913([cH]1[cH]5[cH]6[cH]7[cH]81)[c]2(C#CP1(C#C[c]23[cH]5[cH]6[cH]7[cH]2[Fe]28%10%113567[cH]3[cH]2[cH]8[cH]%10[cH]%113)=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)[cH]49
• 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: 15.993 ± 0.003 Å
• b: 20.501 ± 0.003 Å
• c: 11.1149 ± 0.0017 Å
• α: 90°
• β: 130.846 ± 0.002°
• γ: 90°
• Cell volume: 2756.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No