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Information card for entry 4502589
Preview
| Coordinates | 4502589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H20 N6 O5 Pb |
|---|---|
| Calculated formula | C31 H20 N6 O5 Pb |
| SMILES | [Pb]123(OC(=O)c4[n]3cccc4)(OC(=O)c3[n]2cccc3)[n]2cccc3c4nc([nH]c4c4ccc[n]1c4c23)c1ccc(O)cc1 |
| Title of publication | Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes |
| Authors of publication | Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 2174 |
| a | 15.7551 ± 0.0013 Å |
| b | 17.4602 ± 0.0015 Å |
| c | 20.7841 ± 0.0013 Å |
| α | 90° |
| β | 115.01 ± 0.005° |
| γ | 90° |
| Cell volume | 5181.3 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179556 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/25. |
4502589.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502589.cif |
| 36486 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502587, 4502588, 4502589, 4502590, 4502591, 4502592, 4502593, 4502594 via cif-deposit CGI script. |
4502589.cif |
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Users of the data should acknowledge the original authors of the
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