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Information card for entry 7207524
Preview
| Coordinates | 7207524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H92 Cu2 N10 O24 |
|---|---|
| Calculated formula | C54 H72 Cu2 N10 O24 |
| SMILES | c1c(CN2C[NH]3CC[NH]4CCC[NH]5[Cu]34([NH](CC5)C2)[OH2])ccc(c1)CN1C[NH]2CC[NH]3CCC[NH]4[Cu]23([NH](CC4)C1)[OH2].[O-]C(=O)c1ccc(C(=O)[O-])cc1.[O-]C(=O)c1ccc(C(=O)[O-])cc1.Oc1cc(O)cc(O)c1.O.O.O.O.Oc1cc(O)cc(O)c1.O.O.O.O |
| Title of publication | Guest-dependent host structures and host-induced guest assemblies |
| Authors of publication | Park, Hye Jeong; Suh, Myunghyun Paik |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2748 |
| a | 16.5171 ± 0.0003 Å |
| b | 11.386 ± 0.0003 Å |
| c | 17.9517 ± 0.0005 Å |
| α | 90° |
| β | 106.933 ± 0.001° |
| γ | 90° |
| Cell volume | 3229.7 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1473 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections | 0.3174 |
| Weighted residual factors for significantly intense reflections | 0.2482 |
| Weighted residual factors for all reflections included in the refinement | 0.2434 |
| Goodness-of-fit parameter for all reflections | 1.086 |
| Goodness-of-fit parameter for significantly intense reflections | 1.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180406 (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 7/20/75. |
7207524.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207524.cif |
| 52027 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207521, 7207522, 7207523, 7207524 via cif-deposit CGI script. |
7207524.cif |
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Users of the data should acknowledge the original authors of the
structural data.