Information card for entry 7251262

Structure parameters

• Formula: C22 H20 N10 O4 S2 Zn
• Calculated formula: C22 H20 N10 O4 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: 26.234 ± 0.006 Å
• b: 6.6881 ± 0.0017 Å
• c: 7.4495 ± 0.0019 Å
• α: 90°
• β: 95.128 ± 0.008°
• γ: 90°
• Cell volume: 1301.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No