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Information card for entry 1566977
Preview
| Coordinates | 1566977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H160 As8 K3 N8 O18 Ta Zn4 |
|---|---|
| Calculated formula | C92 H160 As8 K3 N8 O18 Ta Zn4 |
| SMILES | [Ta]123456789%10%11[As]%12%13[As]%143[As]31[As]12[Zn]%10%14([As]26[As]64[As]7([As]5([Zn]8%123c3c(C)cc(cc3C)C)[Zn]%1116c1c(C)cc(cc1C)C)[Zn]9%132c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC[O]4CC9)CC[O]5CC8.[K]1234567[O]8CC[O]3CC[N]37CC[O]4CC[O]1CC[N]5(CC8)CC[O]2CC[O]6CC3.[K]1234567[O]8CC[O]3CC[N]37CC[O]2CC[O]1CC[N]5(CC8)CC[O]4CC[O]6CC3.NCCN |
| Title of publication | Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. |
| Authors of publication | Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 22 |
| Pages of publication | 6744 - 6748 |
| a | 17.0926 ± 0.0002 Å |
| b | 32.8161 ± 0.0004 Å |
| c | 22.5199 ± 0.0003 Å |
| α | 90° |
| β | 104.29 ± 0.0014° |
| γ | 90° |
| Cell volume | 12240.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| 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 | 0.0593 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276600 (current) | 2022-07-06 | cif/ Updating files of 1566976, 1566977 Original log message: Adding full bibliography for 1566976--1566977.cif. |
1566977.cif |
| 275459 | 2022-05-17 | cif/ Adding structures of 1566976, 1566977 via cif-deposit CGI script. |
1566977.cif |
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Users of the data should acknowledge the original authors of the
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