Information card for entry 4315843

Structure parameters

• Formula: C24 H18 F4 Fe2 N3 P3
• Calculated formula: C24 H18 F4 Fe2 N3 P3
• SMILES: [cH]12[cH]3[cH]4[Fe]5678913([cH]1[cH]8[cH]7[cH]9[cH]51)[c]2([cH]46)C#CP1(C#C[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)=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: 15.469 ± 0.004 Å
• b: 19.649 ± 0.004 Å
• c: 10.899 ± 0.003 Å
• α: 90°
• β: 130.422 ± 0.003°
• γ: 90°
• Cell volume: 2522 ± 1.1 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: 0.0576
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No