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Information card for entry 1550730
Preview
| Coordinates | 1550730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103 H202 K5 N12 O32 Rh3 Sn24 |
|---|---|
| Calculated formula | C103 H202 K5 N12 O32 Rh3 Sn24 |
| SMILES | [Sn]1234567[Sn]89%10%11%12[Sn]%13%14%15%16%171[Sn]1%18%19%20%21[Sn]%22%23%242([Sn]2%2581([Sn]18%26[Sn]%27%28%29%30[Sn]%31%324[Sn]45%27[Sn]91%28[Rh]7%11%242%26%30%324[Sn]%228%29%31)[Sn]124[Sn]5789[Sn]%11%101[Sn]1%145[Sn]5%157[Sn]%1928[Rh]%12%17%21%2549%1115)[Sn]124[Sn]5789[Sn]%10%11%13[Sn]%125[Sn]317[Rh]6%16%20%2349%11%12[Sn]%1828%10.[K]1234567[O]8CC[O]1CC[N]17CC[O]4CC[O]5CC[N]6(CC8)CC[O]2CC[O]3CC1.[K]1234567[O]8CC[N]96CC[O]4CC[O]3CC[N]5(CC[O]1CC8)CC[O]7CC[O]2CC9.[K]1234567[O]8CC[O]1CC[N]16CC[O]4CC[O]2CC[N]7(CC8)CC[O]5CC[O]3CC1.[K]1234567[O]8CC[N]97CC[O]2CC[O]1CC[N]6(CC[O]3CC[O]4CC9)CC[O]5CC8.[K]1234567[O]8CC[O]1CC[N]16CC[O]2CC[O]5CC[N]7(CC[O]3CC[O]4CC1)CC8.O=CN(C)C.N(C)(C)C=O.c1cc(ccc1)C |
| Title of publication | Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒ |
| Authors of publication | Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 16.3305 ± 0.0008 Å |
| b | 19.4097 ± 0.001 Å |
| c | 28.6354 ± 0.0015 Å |
| α | 94.786 ± 0.001° |
| β | 98.753 ± 0.001° |
| γ | 112.59 ± 0.001° |
| Cell volume | 8181.8 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214073 (current) | 2019-03-12 | cif/ Adding structures of 1550730, 1550731, 1550732, 1550733, 1550734 via cif-deposit CGI script. |
1550730.cif |
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Users of the data should acknowledge the original authors of the
structural data.