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Information card for entry 4511040
Preview
| Coordinates | 4511040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 N10 O10 Pb2 |
|---|---|
| Calculated formula | C44 H32 N10 O10 Pb2 |
| SMILES | c1ccc2c3[n]1[Pb]1([O]=C(O1)CCCCC1=[O][Pb]4([n]5cccc6c5c5[n]4cccc5c4nc([nH]c64)c4ccccc4)O1)[n]1c3c(ccc1)c1c2[nH]c(n1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands |
| Authors of publication | Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 4 |
| Pages of publication | 1894 |
| a | 12.283 ± 0.003 Å |
| b | 10.59 ± 0.002 Å |
| c | 15.526 ± 0.003 Å |
| α | 90° |
| β | 95.14 ± 0.03° |
| γ | 90° |
| Cell volume | 2011.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4511040.cif |
| 114675 | 2014-05-29 | cif/ Adding structures of 4511034, 4511035, 4511036, 4511037, 4511038, 4511039, 4511040, 4511041, 4511042, 4511043, 4511044, 4511045 via cif-deposit CGI script. |
4511040.cif |
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Users of the data should acknowledge the original authors of the
structural data.