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Information card for entry 1570892
Preview
| Coordinates | 1570892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ni10(pMPT)20 |
|---|---|
| Formula | C140 H140 Ni10 S20 |
| Calculated formula | C140 H140 Ni10 S20 |
| SMILES | c1(ccc(cc1)C)[S]1[Ni]23[S](c4ccc(cc4)C)[Ni]4([S](c5ccc(cc5)C)[Ni]5([S]4c4ccc(cc4)C)[S](c4ccc(cc4)C)[Ni]4([S](c6ccc(cc6)C)[Ni]6([S](c7ccc(cc7)C)[Ni]7([S]6c6ccc(cc6)C)[S](c6ccc(cc6)C)[Ni]6([S](c8ccc(cc8)C)[Ni]8([S](c9ccc(cc9)C)[Ni]9([S](c%10ccc(cc%10)C)[Ni]1([S]3c1ccc(cc1)C)[S]9c1ccc(C)cc1)[S]8c1ccc(cc1)C)[S]6c1ccc(cc1)C)[S]7c1ccc(C)cc1)[S]4c1ccc(C)cc1)[S]5c1ccc(cc1)C)[S]2c1ccc(C)cc1 |
| Title of publication | A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties. |
| Authors of publication | Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao |
| Journal of publication | Nanoscale |
| Year of publication | 2024 |
| Journal volume | 16 |
| Journal issue | 9 |
| Pages of publication | 4563 - 4570 |
| a | 23.4881 ± 0.0012 Å |
| b | 30.1131 ± 0.0018 Å |
| c | 48.101 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 34022 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291008 (current) | 2024-04-05 | cif/ Updating files of 1570892, 1570893, 1570894, 1570895 Original log message: Adding full bibliography for 1570892--1570895.cif. |
1570892.cif |
| 289296 | 2024-02-03 | cif/ Adding structures of 1570892, 1570893, 1570894, 1570895 via cif-deposit CGI script. |
1570892.cif |
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