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Information card for entry 7032915
Preview
| Coordinates | 7032915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H32 N8 Ni4 S8 |
|---|---|
| Calculated formula | C52 H32 N8 Ni4 S8 |
| SMILES | [Ni]12345[Ni]6789[Ni]%10%11%12([Ni]%131([S]%10c1c(N%13c%10sc%13c([n]4%10)cccc%13)cccc1)([S]3c1c(N5c3sc4c([n]83)cccc4)cccc1)[n]1c(sc3c1cccc3)N%12c1ccccc1[S]7%11)[n]1c3c(sc1N9c1ccccc1[S]26)cccc3 |
| Title of publication | A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation. |
| Authors of publication | Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 560 - 567 |
| a | 13.969 ± 0.003 Å |
| b | 25.511 ± 0.005 Å |
| c | 15.81 ± 0.007 Å |
| α | 90° |
| β | 120.22 ± 0.02° |
| γ | 90° |
| Cell volume | 4868 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1845 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032915.cif |
| 180035 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032915.cif |
| 131013 | 2015-02-04 | cif/ Updating files of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 Original log message: Adding full bibliography for 7032912--7032919.cif. |
7032915.cif |
| 125828 | 2014-10-25 | cif/ Adding structures of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 via cif-deposit CGI script. |
7032915.cif |
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Users of the data should acknowledge the original authors of the
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