Information card for entry 4303453

Structure parameters

• Chemical name: spiro(Butane-1,4-diamino)-[N,N'-bis(1-ferrocenyl-methyl)]-4,4,6,6tetrachloro- cyclotriphosphazatriene
• Formula: C26 H30 Cl4 Fe2 N5 P3
• Calculated formula: C26 H30 Cl4 Fe2 N5 P3
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)CN1P2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)N(CCCC1)C[c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 10.782 ± 0.0002 Å
• b: 11.5467 ± 0.0004 Å
• c: 13.2829 ± 0.0004 Å
• α: 68.19 ± 0.02°
• β: 79.75 ± 0.02°
• γ: 88.62 ± 0.03°
• Cell volume: 1509.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No