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Information card for entry 4101430
Preview
| Coordinates | 4101430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H239 Cl3 Cu2 N8 O103 |
|---|---|
| Calculated formula | C117 H201 Cl3 Cu2 N8 O103 |
| Title of publication | Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative. |
| Authors of publication | Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Journal issue | 15 |
| Pages of publication | 4924 - 4925 |
| a | 18.1536 ± 0.0006 Å |
| b | 18.1536 ± 0.0006 Å |
| c | 52.57 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17324.5 ± 1.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 91 |
| Hermann-Mauguin space group symbol | P 41 2 2 |
| Hall space group symbol | P 4w 2c |
| Residual factor for all reflections | 0.2129 |
| Residual factor for significantly intense reflections | 0.1479 |
| Weighted residual factors for significantly intense reflections | 0.3702 |
| Weighted residual factors for all reflections included in the refinement | 0.4194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.41 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178760 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/14. |
4101430.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101430.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101430.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4101430.cif |
| 396 | 2008-06-20 | Adding new CIF files from J-Am-Chem-Soc-2006/. |
4101430.cif |
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