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Information card for entry 4503428
Preview
| Coordinates | 4503428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H72 Cu2 N16 O14 |
|---|---|
| Calculated formula | C58 H72 Cu2 N16 O14 |
| SMILES | c1[n]2cn(Cc3c(Cn4c[n](cc4)[Cu]4([n]5ccn(c5)Cc5ccccc5Cn5c[n]([Cu]62([n]2ccn(Cc7c(Cn8cncc8)cccc7)c2)OC(=O)O6)cc5)([n]2ccn(Cc6c(Cn7cncc7)cccc6)c2)OC(=O)O4)cccc3)c1.O.O.O.O.O.O.O.O |
| Title of publication | A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide |
| Authors of publication | Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 4383 |
| a | 8.873 ± 0.006 Å |
| b | 9.049 ± 0.004 Å |
| c | 19.178 ± 0.01 Å |
| α | 90.04 ± 0.04° |
| β | 96.74 ± 0.04° |
| γ | 94.99 ± 0.04° |
| Cell volume | 1523.3 ± 1.5 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4503428.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503428.cif |
| 41545 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503428, 4503429, 4503430, 4503431, 4503432, 4503433, 4503434, 4503435, 4503436 via cif-deposit CGI script. |
4503428.cif |
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Users of the data should acknowledge the original authors of the
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