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Information card for entry 4074228
Preview
| Coordinates | 4074228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (K-crypt)3[Sn9Zn(C6H5)]*tol |
|---|---|
| Formula | C67 H121 K3 N6 O18 Sn9 Zn |
| Calculated formula | C67 H121 K3 N6 O18 Sn9 Zn |
| SMILES | [Zn]123([Sn]456[Sn]789[Sn]%10%11[Sn]%1247[Sn]47%10[Sn]%108%11[Sn]27([Sn]15%124)[Sn]369%10)c1ccccc1.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.Cc1ccccc1 |
| Title of publication | Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb) |
| Authors of publication | Goicoechea, Jose M.; Sevov, Slavi C. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 19 |
| Pages of publication | 4530 |
| a | 13.6322 ± 0.0004 Å |
| b | 24.4665 ± 0.0008 Å |
| c | 28.037 ± 0.0009 Å |
| α | 90° |
| β | 94.295 ± 0.002° |
| γ | 90° |
| Cell volume | 9325 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178631 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42. |
4074228.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074228.cif |
| 48261 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074226, 4074227, 4074228, 4074229 via cif-deposit CGI script. |
4074228.cif |
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