Information card for entry 4321312

Structure parameters

• Formula: C13 H15 F4 Fe N3 O2 P4 S
• Calculated formula: C13 H15 F4 Fe N3 O2 P4 S
• SMILES: F[P@]12OCP(C[c]34[cH]5[cH]6[cH]7[Fe]89%10%11356([cH]3[cH]8[cH]%10[cH]%11[cH]93)[cH]47)(CO[P@@](=N1)(F)N=P(N=2)(F)F)=S
• Title of publication: Syntheses of Novel Exo and Endo Isomers of Ansa-Substituted Fluorophosphazenes and Their Facile Transformations into Spiro Isomers in the Presence of Fluoride Ions
• Authors of publication: K. Muralidharan; N. Dastagiri Reddy; Anil J. Elias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3988 - 3994
• a: 11.209 Å
• b: 13.965 Å
• c: 14.969 Å
• α: 109.55°
• β: 97.07°
• γ: 111.79°
• Cell volume: 1966.72 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: 0.0395
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No