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Information card for entry 4311227
Preview
| Coordinates | 4311227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H58 Cl2 N8 O9 Zn2 |
|---|---|
| Calculated formula | C29 H58 Cl2 N8 O9 Zn2 |
| Title of publication | Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases |
| Authors of publication | Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4189 - 4202 |
| a | 9.5207 ± 0.0004 Å |
| b | 12.1629 ± 0.0005 Å |
| c | 16.0064 ± 0.0007 Å |
| α | 90° |
| β | 99.78 ± 0.001° |
| γ | 90° |
| Cell volume | 1826.59 ± 0.13 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4311227.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4311227.cif |
| 179151 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/12. |
4311227.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311227.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311227.cif |
| 2722 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311227 via cif-deposit CGI script. |
4311227.cif |
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Users of the data should acknowledge the original authors of the
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