Information card for entry 4345289

Structure parameters

• Chemical name: T2@AV
• Formula: C40 H60 Ge4 N4 S10
• Calculated formula: C40 H60 Ge4 N4 S10
• SMILES: c1cc(cc[n+]1CCCCC)c1cc[n+](cc1)CCCCC.S1[Ge]2(S[Ge]3([S-])S[Ge](S[Ge]1([S-])S3)([S-])S2)[S-].c1cc(c2cc[n+](cc2)CCCCC)cc[n+]1CCCCC
• Title of publication: Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.
• Authors of publication: Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3119 - 3122
• a: 16.49 ± 0.0003 Å
• b: 16.49 ± 0.0003 Å
• c: 9.6098 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2613.1 ± 0.13 ų
• Cell temperature: 226 ± 5 K
• Ambient diffraction temperature: 226 ± 5 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No