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Information card for entry 4109747
Preview
| Coordinates | 4109747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H168 K4 N14 O24 Pd2 Sn18 |
|---|---|
| Calculated formula | C78 H168 K4 N14 O24 Pd2 Sn18 |
| SMILES | [K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.NCCN.NCCN.[Pd]12345[Sn]67[Sn]82[Sn]26[Sn]3([Sn]3[Pd]69%10([Sn][Sn]3[Sn]7)[Sn]37[Sn][Sn]([Sn]1[Sn]16[Sn]6%10[Sn]93[Sn]716)[Sn]4)[Sn]582.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.NCCN |
| Title of publication | Pd2@Sn184-: Fusion of Two Endohedral Stannaspherenes |
| Authors of publication | Zhong-Ming Sun; Hai Xiao; Jun Li; Lai-Sheng Wang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 9560 - 9561 |
| a | 14.913 ± 0.003 Å |
| b | 15.93 ± 0.003 Å |
| c | 16.27 ± 0.003 Å |
| α | 115.71 ± 0.03° |
| β | 98.62 ± 0.03° |
| γ | 100.53 ± 0.03° |
| Cell volume | 3307.3 ± 1.7 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4109747.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109747.cif |
| 58525 | 2012-05-29 | cif/ Adding structures of 4109747 via cif-deposit CGI script. |
4109747.cif |
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Users of the data should acknowledge the original authors of the
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