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Information card for entry 4324628
Preview
| Coordinates | 4324628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [K-crypt]3[Ge9Tl].2py |
|---|---|
| Formula | C64 H118 Ge9 K3 N8 O18 Tl |
| Calculated formula | C64 H118 Ge9 K3 N8 O18 Tl |
| SMILES | [Tl]123[Ge]456[Ge]781[Ge]192[Ge]234[Ge]345[Ge]567[Ge]681[Ge]923[Ge]456.[K]1234567[O]8CC[O]4CC[N]46CC[O]1CC[O]3CC[N]7(CC8)CC[O]2CC[O]5CC4.[K]1234567[O]8CC[O]2CC[N]26CC[O]3CC[O]1CC[N]7(CC8)CC[O]5CC[O]4CC2.[K]1234567[O]8CC[O]2CC[N]26CC[O]3CC[O]1CC[N]7(CC8)CC[O]5CC[O]4CC2.n1ccccc1.n1ccccc1 |
| Title of publication | Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin |
| Authors of publication | Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 2373 - 2377 |
| a | 21.9176 ± 0.0004 Å |
| b | 21.9176 ± 0.0004 Å |
| c | 36.9948 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17771.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0339 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179349 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46. |
4324628.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324628.cif |
| 42810 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4324628 via cif-deposit CGI script. |
4324628.cif |
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Users of the data should acknowledge the original authors of the
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