Information card for entry 4348406

Structure parameters

• Formula: C102 H86 N4 S15 Zn8
• Calculated formula: C102 H86 N4 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]2c1ccccc1)([S]5c1ccccc1)S467)c1ccccc1)c1ccccc1)c1ccccc1)[n]1cccc2c1cccc2N)c1ccccc1)c1ccccc1)[n]1cccc2c(N)cccc12)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: 25.4629 ± 0.0019 Å
• b: 13.3084 ± 0.001 Å
• c: 29.022 ± 0.002 Å
• α: 90°
• β: 98.821 ± 0.004°
• γ: 90°
• Cell volume: 9718.4 ± 1.2 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: 0.1212
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.3357
• Weighted residual factors for all reflections included in the refinement: 0.3497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No