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Information card for entry 1570895
Preview
| Coordinates | 1570895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ni11(pMPT)22 |
|---|---|
| Formula | C154 H154 Ni11 S22 |
| Calculated formula | C154 H154 Ni11 S22 |
| SMILES | [Ni]123[S](c4ccc(cc4)C)[Ni]4([S]3c3ccc(cc3)C)[S]([Ni]3([S](c5ccc(cc5)C)[Ni]5([S](c6ccc(cc6)C)[Ni]6([S]([Ni]7([S](c8ccc(cc8)C)[Ni]8([S]([Ni]9([S]([Ni]%10([S](c%11ccc(cc%11)C)[Ni]%11([S](c%12ccc(cc%12)C)[Ni]([S]%11c%11ccc(cc%11)C)([S]1c1ccc(cc1)C)[S]2c1ccc(cc1)C)[S]%10c1ccc(cc1)C)[S]9c1ccc(cc1)C)c1ccc(cc1)C)[S]8c1ccc(cc1)C)c1ccc(cc1)C)[S]7c1ccc(cc1)C)[S]6c1ccc(cc1)C)c1ccc(cc1)C)[S]5c1ccc(cc1)C)[S]3c1ccc(cc1)C)[S]4c1ccc(cc1)C)c1ccc(cc1)C |
| 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 | 23.683 ± 0.003 Å |
| b | 27.568 ± 0.004 Å |
| c | 29.823 ± 0.004 Å |
| α | 90.121 ± 0.007° |
| β | 90.422 ± 0.007° |
| γ | 98.048 ± 0.007° |
| Cell volume | 19279 ± 5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3337 |
| Residual factor for significantly intense reflections | 0.148 |
| Weighted residual factors for significantly intense reflections | 0.3939 |
| Weighted residual factors for all reflections included in the refinement | 0.4836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299663 (current) | 2025-05-14 | cif/1: Fixing some Z values and formulae |
1570895.cif |
| 291008 | 2024-04-05 | cif/ Updating files of 1570892, 1570893, 1570894, 1570895 Original log message: Adding full bibliography for 1570892--1570895.cif. |
1570895.cif |
| 289296 | 2024-02-03 | cif/ Adding structures of 1570892, 1570893, 1570894, 1570895 via cif-deposit CGI script. |
1570895.cif |
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Users of the data should acknowledge the original authors of the
structural data.