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Information card for entry 7204812
Preview
| Coordinates | 7204812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Pb(dimb)(SCN)2] |
|---|---|
| Formula | C34 H32 N12 O0 Pb2 S4 |
| Calculated formula | C34 H32 N12 Pb2 S4 |
| SMILES | N(=C=S)[Pb]1(N=C=S)[n]2ccn(Cc3cc(cc(c3)C)Cn3c[n](cc3)[Pb](N=C=S)(N=C=S)[n]3cn(Cc4cc(Cn5c[n]1cc5)cc(c4)C)cc3)c2 |
| Title of publication | Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/ |
| Authors of publication | Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2004 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 1631 |
| a | 11.968 ± 0.002 Å |
| b | 10.0376 ± 0.0018 Å |
| c | 16.579 ± 0.003 Å |
| α | 90° |
| β | 92.804 ± 0.003° |
| γ | 90° |
| Cell volume | 1989.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.847 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180379 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/48. |
7204812.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204812.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204812.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204812.cif |
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