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Information card for entry 4109540
Preview
| Coordinates | 4109540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57.5 H69.5 N4.5 Ni2 O9 |
|---|---|
| Calculated formula | C57.5 H63.5 N4.5 Ni2 O9 |
| Title of publication | Dynamic Interconversion of Amorphous Microparticles and Crystalline Rods in Salen-Based Homochiral Infinite Coordination Polymers |
| Authors of publication | You-Moon Jeon; Jungseok Heo; Chad A. Mirkin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7480 - 7481 |
| a | 13.3754 ± 0.0012 Å |
| b | 15.3953 ± 0.0014 Å |
| c | 15.7098 ± 0.0015 Å |
| α | 70.609 ± 0.002° |
| β | 70.501 ± 0.002° |
| γ | 67.214 ± 0.002° |
| Cell volume | 2733.9 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1351 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.2018 |
| Weighted residual factors for all reflections included in the refinement | 0.2447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
4109540.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109540.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109540.cif |
| 58317 | 2012-05-28 | cif/ Adding structures of 4109540 via cif-deposit CGI script. |
4109540.cif |
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Users of the data should acknowledge the original authors of the
structural data.