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Information card for entry 1516789
Preview
| Coordinates | 1516789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H37 N5 O4 |
|---|---|
| Calculated formula | C47 H37 N5 O4 |
| SMILES | o1c2cnc(cc2cc1c1ccc(nc1)c1ncc(cc1)c1c(cc(OC)cc1C)C)c1nc(ccc1)c1ncc2oc(cc2c1)c1c(cc(OC)cc1C)C |
| Title of publication | Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks |
| Authors of publication | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 11 |
| Pages of publication | 4317 |
| a | 32.6617 ± 0.0014 Å |
| b | 8.8705 ± 0.0003 Å |
| c | 25.8704 ± 0.0009 Å |
| α | 90° |
| β | 93.738 ± 0.004° |
| γ | 90° |
| Cell volume | 7479.4 ± 0.5 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1136 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.1909 |
| Weighted residual factors for all reflections included in the refinement | 0.2239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1516789.cif |
| 124664 | 2014-10-06 | cif/ Updating files of 1516783, 1516784, 1516785, 1516786, 1516787, 1516788, 1516789, 1516790, 1516791 Original log message: Adding full bibliography for 1516783--1516791.cif. |
1516789.cif |
| 118918 | 2014-07-03 | cif/ Adding structures of 1516783, 1516784, 1516785, 1516786, 1516787, 1516788, 1516789, 1516790, 1516791 via cif-deposit CGI script. |
1516789.cif |
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Users of the data should acknowledge the original authors of the
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