Information card for entry 7062550

Structure parameters

• Formula: C42 H36 Cl3 N6 O3 P3
• Calculated formula: C42 H36 Cl3 N6 O3 P3
• SMILES: Cl[P@@]1(OCCn2c3ccccc3c3ccccc23)=N[P@](Cl)(OCCn2c3ccccc3c3ccccc23)=N[P@](Cl)(OCCn2c3ccccc3c3ccccc23)=N1
• Title of publication: Designing inorganic–organic hybrid molecules based on carbazole/indole-appended cyclotriphosphazenes and the investigation of their photophysical properties
• Authors of publication: Palabıyık, Duygu; Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 13866 - 13879
• a: 21.743 ± 0.004 Å
• b: 11.673 ± 0.002 Å
• c: 16.814 ± 0.003 Å
• α: 90°
• β: 107.289 ± 0.004°
• γ: 90°
• Cell volume: 4074.7 ± 1.3 ų
• Cell temperature: 172.99 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1859
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No