Information card for entry 1544784

Structure parameters

• Formula: C28 H20 F2 N4 S2 Zn
• Calculated formula: C28 H20 F2 N4 S2 Zn
• SMILES: [Zn]([n]1ccc(cc1)/C=C/c1cccc(c1)F)([n]1ccc(cc1)/C=C/c1cccc(c1)F)(N=C=S)N=C=S
• 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: 10.3095 ± 0.0004 Å
• b: 12.2083 ± 0.0004 Å
• c: 20.7566 ± 0.0007 Å
• α: 90°
• β: 96.68 ± 0.001°
• γ: 90°
• Cell volume: 2594.72 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0476
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No