Information card for entry 4303454

Structure parameters

• Chemical name: spiro(Propane-1,3-diamino)-[N-(1-ferrocenyl-methyl)]- 4,4,6,6-tetrakispyrrolidino-cyclotri phosphazatriene
• Formula: C30 H49 Fe N9 P3
• Calculated formula: C30 H49 Fe N9 P3
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CN1P2(=NP(=NP(=N2)(N2CCCC2)N2CCCC2)(N2CCCC2)N2CCCC2)NCCC1)[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: 13.474 ± 0.0002 Å
• b: 15.0389 ± 0.0003 Å
• c: 19.6478 ± 0.0005 Å
• α: 68.54 ± 0.03°
• β: 87.08 ± 0.03°
• γ: 66.311 ± 0.015°
• Cell volume: 3371.5 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1419
• 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