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Information card for entry 4500652
Preview
| Coordinates | 4500652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 Co N6 O15 |
|---|---|
| Calculated formula | C20 H18 Co N6 O15 |
| SMILES | c1(cc(cc(c1)C(=O)O)C(=O)[O-])n1c[n]([Co]([OH2])([OH2])([OH2])([OH2])[n]2cn(c3cc(cc(c3)C(=O)O)C(=O)[O-])cn2)nc1.O.O.O |
| Title of publication | pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid |
| Authors of publication | Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1901 |
| a | 26.458 ± 0.008 Å |
| b | 6.5936 ± 0.0015 Å |
| c | 16.939 ± 0.005 Å |
| α | 90° |
| β | 118.205 ± 0.012° |
| γ | 90° |
| Cell volume | 2604.2 ± 1.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179537 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/06. |
4500652.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500652.cif |
| 34572 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500651, 4500652, 4500653, 4500654, 4500655, 4500656, 4500657, 4500658 via cif-deposit CGI script. |
4500652.cif |
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Users of the data should acknowledge the original authors of the
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