Information card for entry 4348405

Structure parameters

• Formula: C104 H88 N2 S15 Zn8
• Calculated formula: C104 H88 N2 S15 Zn8
• SMILES: [Zn]12(Sc3ccccc3)[S]([Zn]34[S]([Zn]5([S]([Zn]6([S]2c2ccccc2)[S]([Zn]2([S]([Zn]7([S]1c1ccccc1)[S]([Zn]([S]3c1ccccc1)(Sc1ccccc1)[S]([Zn]([S]5c1ccccc1)([S]2c1ccccc1)S467)c1ccccc1)c1ccccc1)c1ccccc1)[n]1c2ccccc2cc(c1)C)c1ccccc1)c1ccccc1)[n]1c2ccccc2cc(c1)C)c1ccccc1)c1ccccc1
• Title of publication: Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity
• Authors of publication: Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 164
• a: 25.9462 ± 0.0006 Å
• b: 13.333 ± 0.0002 Å
• c: 28.9328 ± 0.0005 Å
• α: 90°
• β: 98.5 ± 0.002°
• γ: 90°
• Cell volume: 9899.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0953
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No