Information card for entry 7251260

Structure parameters

• Formula: C28 H20.4 N10 O2.2 S2 Zn
• Calculated formula: C28 H20 N10 O2 S2 Zn
• Title of publication: Metal Coordination-Driven Photochromism in Schiff bases incorporating 1,2,4-triazole and hydroxyphenyl moieties
• Authors of publication: Anisimov, Aleksei A.; Bovkunova, Anna; Dubasova, Ekaterina V.; Gontcharenko , Victoria E.; Taydakov, Ilya V.; Bazhina, Evgeniya S.; Eremenko, Igor Leonidovich; Ananyev, Ivan V.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 9.2371 ± 0.0008 Å
• b: 13.0112 ± 0.0012 Å
• c: 14.2113 ± 0.0013 Å
• α: 115.986 ± 0.003°
• β: 93.532 ± 0.003°
• γ: 108.249 ± 0.003°
• Cell volume: 1418 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0944
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No