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Information card for entry 7010950
Preview
| Coordinates | 7010950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Me3NEt)2[Pd(dmit)2] |
|---|---|
| Formula | C16 H28 N2 Pd S10 |
| Calculated formula | C16 H28 N2 Pd S10 |
| SMILES | C12=C(S[Pd]3(S1)SC1=C(S3)SC(=S)S1)SC(=S)S2.C(C)[N+](C)(C)C.C(C)[N+](C)(C)C |
| Title of publication | Syntheses and crystal structures of the molecular conductors Z[Pd(dmit)2]2{Z = (Me3NEt)+, (MeNEt3)+, (NEt4)+} and their precursors Z2[Pd(dmit)2] |
| Authors of publication | Fang Qi; Thomas C. W. Mak; Zhou Zhong-Yuan; Yang Qing-Chuan; Liu Zhi; Yu Wen-Tao; Zhu Dao-Ben; Jiang Min-Hua |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 7 |
| Pages of publication | 1377 - 1385 |
| a | 11.471 ± 0.003 Å |
| b | 10.522 ± 0.003 Å |
| c | 12.358 ± 0.002 Å |
| α | 90° |
| β | 111.76 ± 0.015° |
| γ | 90° |
| Cell volume | 1385.3 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1856 |
| Weighted residual factors for all reflections included in the refinement | 0.2004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010950.cif |
| 179813 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/09. |
7010950.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010950.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010950.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010950.cif |
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