Information card for entry 4345287

Structure parameters

• Chemical name: T2@EV
• Formula: C28 H36 Ge4 N4 O4 S10
• Calculated formula: C28 H36 Ge4 N4 O4 S10
• SMILES: [Ge]12(S[Ge]3(S[Ge](S[Ge](S3)(S2)[S-])(S1)[S-])[S-])[S-].c1(cc[n+](cc1)CC)c1cc[n+](cc1)CC.[n+]1(ccc(c2cc[n+](cc2)CC)cc1)CC.O.O.O.O
• 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: 10.215 ± 0.0004 Å
• b: 12.7962 ± 0.0005 Å
• c: 17.6646 ± 0.0007 Å
• α: 79.336 ± 0.003°
• β: 73.292 ± 0.003°
• γ: 76.395 ± 0.003°
• Cell volume: 2132.29 ± 0.15 ų
• Cell temperature: 223.01 ± 0.1 K
• Ambient diffraction temperature: 223.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No