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Information card for entry 1518498
Preview
| Coordinates | 1518498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H116 As10 Co4 |
|---|---|
| Calculated formula | C68 As10 Co4 |
| SMILES | [As]123[As]4[As]56[As]7([As]1[Co]189%10457[cH]4[c]1([cH]8[c]9([c]%104C(C)(C)C)C(C)(C)C)C(C)(C)C)[Co]14576([As]62[As]2[As]89[As]%10([As]6[Co]6%11%12%1328%10[cH]2[c]6([cH]%11[c]%12([c]%132C(C)(C)C)C(C)(C)C)C(C)(C)C)[Co]268%1039[cH]3[c]2([cH]6[c]8([c]%103C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]2[c]1([cH]4[c]5([c]72C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis of arsenic-rich Asnligand complexes from yellow arsenic |
| Authors of publication | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 1379 |
| a | 10.3921 ± 0.0005 Å |
| b | 14.3707 ± 0.0007 Å |
| c | 14.8262 ± 0.0008 Å |
| α | 62.53 ± 0.005° |
| β | 76.535 ± 0.004° |
| γ | 79.819 ± 0.004° |
| Cell volume | 1904.35 ± 0.19 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 1 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 | 0.0877 |
| Residual factor for significantly intense reflections | 0.0796 |
| Weighted residual factors for significantly intense reflections | 0.2268 |
| Weighted residual factors for all reflections included in the refinement | 0.2345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518498.cif |
| 133099 | 2015-03-06 | cif/ Updating files of 1518346, 1518347, 1518348, 1518496, 1518497, 1518498, 1518499, 1518500 Original log message: Adding full bibliography for 1518346--1518500.cif. |
1518498.cif |
| 129301 | 2015-01-01 | cif/ Adding structures of 1518496, 1518497, 1518498, 1518499, 1518500 via cif-deposit CGI script. |
1518498.cif |
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Users of the data should acknowledge the original authors of the
structural data.