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Information card for entry 7032916
Preview
| Coordinates | 7032916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H36 N6 Ni6 O2 S15 |
|---|---|
| Calculated formula | C42 H24 N6 Ni6 S15 |
| SMILES | [Ni]123456[Ni]789%10%11[Ni]%12%13%14%15([Ni]%16%177([Ni]7%182([Ni]1%12(S%13%167)(S49%14)(Sc1sc2c([n]61)cccc2)[n]1c(S%18)sc2c1cccc2)(S38%17)[n]1c2c(sc1S5)cccc2)(Sc1sc2c([n]%151)cccc2)[n]1c(sc2c1cccc2)S%10)Sc1sc2c([n]%111)cccc2 |
| 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 | 15.384 ± 0.003 Å |
| b | 15.673 ± 0.003 Å |
| c | 25.018 ± 0.005 Å |
| α | 90° |
| β | 103.45 ± 0.03° |
| γ | 90° |
| Cell volume | 5867 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7032916.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. |
7032916.cif |
| 125828 | 2014-10-25 | cif/ Adding structures of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 via cif-deposit CGI script. |
7032916.cif |
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Users of the data should acknowledge the original authors of the
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