Information card for entry 7058307

Structure parameters

• Formula: C14 H17 Cl6 Fe N5 O P4
• Calculated formula: C14 H17 Cl6 Fe N5 O P4
• Title of publication: Phosphorus‒nitrogen compounds. Part 42. The comparative syntheses of 2-cis-4-ansa(N/O) and spiro(N/O) cyclotetraphosphazene derivatives: spectroscopic and crystallographic characterization, antituberculosis and cytotoxic activity studies
• Authors of publication: Binici, Arzu; Okumuş, Aytuğ; Elmas, Gamze; Kılıç, Zeynel; Ramazanoğlu, Nagehan; Açık, Leyla; Şimşek, Hülya; Çağdaş Tunalı, Beste; Türk, Mustafa; Güzel, Remziye; Hökelek, Tuncer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6856
• a: 13.9606 ± 0.0004 Å
• b: 11.0102 ± 0.0003 Å
• c: 16.3482 ± 0.0005 Å
• α: 90°
• β: 98.192 ± 0.003°
• γ: 90°
• Cell volume: 2487.22 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No