Information card for entry 7208492

Structure parameters

• Formula: C30 H24 N6 S4 Zn
• Calculated formula: C30 H24 N6 S4 Zn
• SMILES: [Zn](N=C=S)(N=C=S)(N=C=S)N=C=S.[nH+]1ccc(/C=C/c2ccccc2)cc1.[nH+]1ccc(/C=C/c2ccccc2)cc1
• Title of publication: Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies
• Authors of publication: Briceño, Alexander; Hill, Yennifer
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6121
• a: 14.585 ± 0.007 Å
• b: 13.793 ± 0.006 Å
• c: 16.038 ± 0.007 Å
• α: 90°
• β: 101.247 ± 0.014°
• γ: 90°
• Cell volume: 3164 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1887
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No