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Information card for entry 4504089
Preview
| Coordinates | 4504089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H29.67 N11 O7.33 Zn |
|---|---|
| Calculated formula | C28 H29.67 N11 O7.33333 Zn |
| Title of publication | Self-Assembly of a CsCl-like 3D Supramolecular Network from [Zn6(HL)6(H2L)6]6+Metallamacrocycles and (H2O)20Clusters (H2L = 4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine) |
| Authors of publication | Chi, Yingnan; Huang, Kunlin; Zhang, Shaowen; Cui, Fengyun; Xu, Yanqing; Hu, Changwen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 2449 |
| a | 16.931 ± 0.004 Å |
| b | 16.931 ± 0.004 Å |
| c | 16.931 ± 0.004 Å |
| α | 95.34 ± 0.004° |
| β | 95.34 ± 0.004° |
| γ | 95.34 ± 0.004° |
| Cell volume | 4786 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :R |
| Hall space group symbol | -P 3* |
| Residual factor for all reflections | 0.2774 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4504089.cif |
| 179575 | 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 4/50/40. |
4504089.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504089.cif |
| 44914 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504089 via cif-deposit CGI script. |
4504089.cif |
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Users of the data should acknowledge the original authors of the
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