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Information card for entry 1517047
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| Coordinates | 1517047.cif |
|---|
| Formula | C68 H58 Cu3 N4 O12 |
|---|---|
| Calculated formula | C68 H58 Cu3 N4 O12 |
| SMILES | [Cu]1234([O]=C(O[Cu]2([O]=C(O1)c1ccccc1)(OC(=[O]3)c1ccccc1)([O]=C(O4)c1ccccc1)[n]1ccc(cc1)CCCc1ccncc1)c1ccccc1)[n]1ccc(cc1)CCCc1cc[n]([Cu](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)[n]2ccc(CCCc3cc[n]([Cu]4567[Cu]([O]=C(O4)c4ccccc4)([O]=C(O5)c4ccccc4)([n]4ccc(cc4)CCCc4cc[n]([Cu](OC(=O)c5ccccc5)OC(=O)c5ccccc5)cc4)(OC(=[O]6)c4ccccc4)OC(=[O]7)c4ccccc4)cc3)cc2)cc1 |
| Title of publication | Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands |
| Authors of publication | In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 402 |
| Pages of publication | 39 - 45 |
| a | 9.8178 ± 0.001 Å |
| b | 10.774 ± 0.0011 Å |
| c | 14.9306 ± 0.0015 Å |
| α | 79.685 ± 0.002° |
| β | 81.615 ± 0.002° |
| γ | 78.697 ± 0.002° |
| Cell volume | 1513.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1016 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517047.cif |
| 119956 | 2014-07-10 | cif/ Adding structures of 1517047 via cif-deposit CGI script. |
1517047.cif |
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Users of the data should acknowledge the original authors of the
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