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Information card for entry 7220610
Preview
| Coordinates | 7220610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H44 Ni6 S12 |
|---|---|
| Calculated formula | C36 H44 Ni6 S12 |
| SMILES | C1CC[S]2[Ni]34[S](c5ccccc5)[Ni]52[S]1[Ni]12[S]5CCC[S]2[Ni]2([S]1c1ccccc1)[S](c1ccccc1)[Ni]15[S]6CCC[S]3[Ni]6([S]4c3ccccc3)[S]1CCC[S]25 |
| Title of publication | Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges |
| Authors of publication | Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 5110 |
| a | 11.997 ± 0.007 Å |
| b | 14.36 ± 0.009 Å |
| c | 26.228 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4518 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1122 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1708 |
| Weighted residual factors for all reflections included in the refinement | 0.1998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220610.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220610.cif |
| 143428 | 2015-07-10 | cif/ Updating files of 7220606, 7220607, 7220608, 7220609, 7220610 Original log message: Adding full bibliography for 7220606--7220610.cif. |
7220610.cif |
| 137641 | 2015-06-02 | cif/ Adding structures of 7220606, 7220607, 7220608, 7220609, 7220610 via cif-deposit CGI script. |
7220610.cif |
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