Information card for entry 4315849

Structure parameters

• Formula: C40 H34 Cl8 F10 Fe2 N12 P6 Pd
• Calculated formula: C40 H34 Cl8 F10 Fe2 N12 P6 Pd
• SMILES: C(Cl)(Cl)Cl.[Pd]([n]1c(c([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)n(n1)Cc1ccccc1)P1(F)=NP(F)(F)=NP(F)(F)=N1)([n]1c(c([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)n(n1)Cc1ccccc1)P1(F)=NP(F)(F)=NP(F)(F)=N1)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 11.2154 ± 0.0012 Å
• b: 11.6282 ± 0.0012 Å
• c: 12.7845 ± 0.0013 Å
• α: 115.258 ± 0.002°
• β: 97.712 ± 0.002°
• γ: 94.298 ± 0.002°
• Cell volume: 1477.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No