Information card for entry 4303452

Structure parameters

• Chemical name: spiro(Butane-1,4-diamino)-[N-(1-ferrocenyl-methyl)]- 4,4,6,6-tetrachlorocyclotriphosphazatriene
• Formula: C15 H20 Cl4 Fe N5 P3
• Calculated formula: C15 H20 Cl4 Fe N5 P3
• SMILES: [Fe]12345678([c]9(CN%10P%11(=NP(Cl)(Cl)=NP(Cl)(Cl)=N%11)NCCCC%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Phosphorus-Nitrogen Compounds. 18. Syntheses, Stereogenic Properties, Structural and Electrochemical Investigations, Biological Activities, and DNA Interactions of New Spirocyclic Mono- and Bisferrocenylphosphazene Derivatives
• Authors of publication: Nuran Asmafiliz; Zeynel Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç; Leyla Açik; Özgül Kisa; Ali Albay; Zafer Üstündağ; Ali Osman Solak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10102 - 10116
• a: 11.834 ± 0.0002 Å
• b: 24.1107 ± 0.0004 Å
• c: 16.0267 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4572.83 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No