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Information card for entry 7054802
Preview
| Coordinates | 7054802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H76 N22 O8 Pb |
|---|---|
| Calculated formula | C96 H76 N22 O8 Pb |
| SMILES | c12ccccc1n(c1CN3Cc4[n](c5ccccc5n4Cc4ccc(C#N)cc4)[Pb]45([n]6c(C3)n(c3c6cccc3)Cc3ccc(C#N)cc3)([n]21)[n]1c(CN(Cc2[n]4c3ccccc3n2Cc2ccc(C#N)cc2)Cc2[n]5c3ccccc3n2Cc2ccc(C#N)cc2)n(c2c1cccc2)Cc1ccc(C#N)cc1)Cc1ccc(cc1)C#N.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
| Title of publication | Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes |
| Authors of publication | Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 7 |
| Pages of publication | 5287 |
| a | 15.6793 ± 0.0004 Å |
| b | 21.2137 ± 0.0005 Å |
| c | 26.0127 ± 0.0005 Å |
| α | 90° |
| β | 99.137 ± 0.001° |
| γ | 90° |
| Cell volume | 8542.5 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7054802.cif |
| 143727 | 2015-07-11 | cif/ Updating files of 7054800, 7054801, 7054802, 7054803 Original log message: Adding full bibliography for 7054800--7054803.cif. |
7054802.cif |
| 135957 | 2015-05-09 | cif/ Adding structures of 7054800, 7054801, 7054802, 7054803 via cif-deposit CGI script. |
7054802.cif |
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Users of the data should acknowledge the original authors of the
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