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Information card for entry 1570893
Preview
| Coordinates | 1570893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ni9(pMPT)18 |
|---|---|
| Formula | C126 H126 Ni9 S18 |
| Calculated formula | C126 H126 Ni9 S18 |
| SMILES | c1(ccc(cc1)C)[S]1[Ni]23[S](c4ccc(cc4)C)[Ni]41[S](c1ccc(cc1)C)[Ni]1([S]4c4ccc(cc4)C)[S](c4ccc(cc4)C)[Ni]4([S]1c1ccc(cc1)C)[S](c1ccc(cc1)C)[Ni]1([S]4c4ccc(cc4)C)[S](c4ccc(cc4)C)[Ni]4([S]1c1ccc(cc1)C)[S](c1ccc(cc1)C)[Ni]1([S](c5ccc(cc5)C)[Ni]5([S]1c1ccc(cc1)C)[S](c1ccc(cc1)C)[Ni]([S]5c1ccc(cc1)C)([S]3c1ccc(cc1)C)[S]2c1ccc(cc1)C)[S]4c1ccc(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 | 28.916 ± 0.007 Å |
| b | 28.916 ± 0.007 Å |
| c | 69.42 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 50268 ± 3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1969 |
| Weighted residual factors for all reflections included in the refinement | 0.2151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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 |
|---|---|---|---|
| 291008 (current) | 2024-04-05 | cif/ Updating files of 1570892, 1570893, 1570894, 1570895 Original log message: Adding full bibliography for 1570892--1570895.cif. |
1570893.cif |
| 289296 | 2024-02-03 | cif/ Adding structures of 1570892, 1570893, 1570894, 1570895 via cif-deposit CGI script. |
1570893.cif |
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