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Information card for entry 4512610
Preview
| Coordinates | 4512610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H26 Cl2 Cu N6 O9 |
|---|---|
| Calculated formula | C22 H26 Cl2 Cu N6 O9 |
| SMILES | [Cu]123[n]4c([nH]c5c4cccc5)C(=[N]3CCC[N]1=C(C)c1[nH]c3c(cccc3)[n]21)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC |
| 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 | 9.9049 ± 0.0006 Å |
| b | 10.7803 ± 0.0008 Å |
| c | 13.9607 ± 0.0009 Å |
| α | 107.848 ± 0.006° |
| β | 101.55 ± 0.005° |
| γ | 104.173 ± 0.006° |
| Cell volume | 1313.14 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
4512610.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. |
4512610.cif |
| 130360 | 2015-02-04 | cif/ Adding structures of 4512610, 4512611, 4512612, 4512613, 4512614, 4512615, 4512616, 4512617 via cif-deposit CGI script. |
4512610.cif |
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Users of the data should acknowledge the original authors of the
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