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Information card for entry 7205195
Preview
| Coordinates | 7205195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H24 N6 O6 |
|---|---|
| Calculated formula | C14 H24 N6 O6 |
| SMILES | c1cc(ccn1)NC(=O)NCCNC(=O)Nc1ccncc1.O.O.O.O |
| Title of publication | Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes |
| Authors of publication | Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 215 |
| a | 7.2549 ± 0.0013 Å |
| b | 7.7629 ± 0.0015 Å |
| c | 9.1054 ± 0.0016 Å |
| α | 98.095 ± 0.003° |
| β | 99.515 ± 0.003° |
| γ | 110.281 ± 0.003° |
| Cell volume | 463.39 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1654 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.384 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180382 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51. |
7205195.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205195.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205195.cif |
| 14570 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205194, 7205195, 7205196, 7205197, 7205198 via cif-deposit CGI script. |
7205195.cif |
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Users of the data should acknowledge the original authors of the
structural data.