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Information card for entry 4512614
Preview
| Coordinates | 4512614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H52 Cl4 Cu2 N14 O16 |
|---|---|
| Calculated formula | C52 H52 Cl4 Cu2 N14 O16 |
| SMILES | c12ccccc1[nH]c1C(C)=[N]3CCC[N]4=C(c5[n](c6ccccc6[nH]5)[Cu]34([n]21)[n]1ccc(cc1)c1cc[n](cc1)[Cu]123[n]4c5ccccc5[nH]c4C(C)=[N]1CCC[N]2=C(C)c1[n]3c2ccccc2[nH]1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors |
| Authors of publication | Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 625 |
| a | 14.5503 ± 0.0005 Å |
| b | 11.3288 ± 0.0003 Å |
| c | 34.785 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5733.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for significantly intense reflections | 0.2117 |
| Weighted residual factors for all reflections included in the refinement | 0.2259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179674 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26. |
4512614.cif |
| 132760 | 2015-03-04 | cif/ Updating files of 4512610, 4512611, 4512612, 4512613, 4512614, 4512615, 4512616, 4512617 Original log message: Adding full bibliography for 4512610--4512617.cif. |
4512614.cif |
| 130360 | 2015-02-04 | cif/ Adding structures of 4512610, 4512611, 4512612, 4512613, 4512614, 4512615, 4512616, 4512617 via cif-deposit CGI script. |
4512614.cif |
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