Information card for entry 7063813

Structure parameters

• Formula: C18 H12 Cl2 N7 O2 P3
• Calculated formula: C18 H12 Cl2 N7 O2 P3
• Title of publication: Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties
• Authors of publication: Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 9583 - 9599
• a: 7.8 ± 0.0005 Å
• b: 14.4899 ± 0.0009 Å
• c: 19.0386 ± 0.0012 Å
• α: 100.877 ± 0.001°
• β: 95.251 ± 0.001°
• γ: 90.909 ± 0.001°
• Cell volume: 2103 ± 0.2 ų
• Cell temperature: 172.16 K
• Ambient diffraction temperature: 172.16 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: 0.0437
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No