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Information card for entry 7113855
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| Coordinates | 7113855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(ii), benzene solvate |
|---|---|
| Chemical name | Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(II), benzene solvate |
| Formula | C26 H26 Cu N2 O4 |
| Calculated formula | C26 H26 Cu N2 O4 |
| SMILES | C1(=[O][Cu]2(OC(=C1c1ccncc1)C)OC(=C(C(=[O]2)C)c1ccncc1)C)C.c1ccccc1 |
| Title of publication | Solvent-dependent 44 square grid and 64.82 NbO frameworks formed by Cu(Pyac)2 (bis[3-(4-pyridyl)pentane-2,4-dionato]copper(ii))Electronic supplementary information (ESI) available: microanalyses of 1, 2, 6 and 10. See http://www.rsc.org/suppdata/cc/b3/b305457h/ |
| Authors of publication | Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2003 |
| Journal issue | 17 |
| Pages of publication | 2166 |
| a | 7.563 ± 0.001 Å |
| b | 9.582 ± 0.002 Å |
| c | 16.085 ± 0.003 Å |
| α | 90° |
| β | 96.213 ± 0.011° |
| γ | 90° |
| Cell volume | 1158.8 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| 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 |
|---|---|---|---|
| 180252 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38. |
7113855.cif |
| 115311 | 2014-06-03 | cif/ Adding structures of 7113851, 7113852, 7113853, 7113854, 7113855, 7113856, 7113857 via cif-deposit CGI script. |
7113855.cif |
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Users of the data should acknowledge the original authors of the
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