Information card for entry 4345290

Structure parameters

• Chemical name: T2@BV
• Formula: C48 H44 Ge4 N4 S10
• Calculated formula: C48 H44 Ge4 N4 S10
• SMILES: c1cc(c2cc[n+](cc2)Cc2ccccc2)cc[n+]1Cc1ccccc1.[S-][Ge]12S[Ge]3([S-])S[Ge](S1)([S-])S[Ge]([S-])(S2)S3.c1cc(c2cc[n+](cc2)Cc2ccccc2)cc[n+]1Cc1ccccc1
• 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: 15.794 ± 0.0006 Å
• b: 15.794 ± 0.0006 Å
• c: 10.4551 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.2156
• Residual factor for significantly intense reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No