Information card for entry 1544783

Structure parameters

• Formula: C28 H26 F2 N4 O6 S2 Zn
• Calculated formula: C35.5 H20 F2 N4 S2 Zn
• Title of publication: Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes
• Authors of publication: Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.
• Journal of publication: IUCrJ
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• a: 14.871 ± 0.002 Å
• b: 4.9627 ± 0.0009 Å
• c: 20.315 ± 0.003 Å
• α: 90°
• β: 93.183 ± 0.004°
• γ: 90°
• Cell volume: 1496.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No