Information card for entry 7718808

Structure parameters

• Formula: C15 H9 Br N2 S
• Calculated formula: C15 H9 Br N2 S
• Title of publication: Ag(I) induced H-type and Pd(II) induced J-type phthalocyanines to enhance PDT applications: synthesis, optical behaviors, photochemical/photophysical properties, and DFT studies.
• Authors of publication: Alagöz, Tenzile; Genç Bilgiçli, Hayriye; Polat, Elif; Pişkin, Hasan; Tüzün, Burak; Günsel, Armağan; Erdoğmuş, Ali; Yaraşır, M Nilüfer; Bilgiçli, Ahmet T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 10052 - 10070
• a: 6.827 ± 0.003 Å
• b: 7.757 ± 0.004 Å
• c: 13.338 ± 0.006 Å
• α: 81.106 ± 0.007°
• β: 83.918 ± 0.008°
• γ: 86.476 ± 0.008°
• Cell volume: 693.2 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0806
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No