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Information card for entry 4345288
Preview
| Coordinates | 4345288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | T2@n-BV |
|---|---|
| Formula | C36 H52 Ge4 N4 S10 |
| Calculated formula | C36 H52 Ge4 N4 S10 |
| SMILES | c1(cc[n+](CCCC)cc1)c1cc[n+](cc1)CCCC.S1[Ge]2([S-])S[Ge]3([S-])S[Ge]([S-])(S[Ge]1([S-])S3)S2.c1cc(c2cc[n+](cc2)CCCC)cc[n+]1CCCC |
| 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 | 16.0719 ± 0.0006 Å |
| b | 16.0719 ± 0.0006 Å |
| c | 9.5961 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2478.7 ± 0.3 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 1 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 | 0.1865 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345288.cif |
| 194823 | 2017-04-04 | cif/ Updating files of 4345284, 4345285, 4345286, 4345287, 4345288, 4345289, 4345290 Original log message: Adding full bibliography for 4345284--4345290.cif. |
4345288.cif |
| 192518 | 2017-03-01 | cif/ Adding structures of 4345284, 4345285, 4345286, 4345287, 4345288, 4345289, 4345290 via cif-deposit CGI script. |
4345288.cif |
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Users of the data should acknowledge the original authors of the
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