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Information card for entry 4504405
Preview
| Coordinates | 4504405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 Cu2 N10 |
|---|---|
| Calculated formula | C12 H8 Cu2 N10 |
| Title of publication | Heterometallic Tetrazole Coordination Polymer Formed through 2 + 3 Cycloaddition Reaction between Inorganic Complexes in the Presence of Lewis Acid |
| Authors of publication | Tang, Yun-Zhi; Wang, Guo-Xi; Ye, Qiong; Xiong, Ren-Gen; Yuan, Rong-Xin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 2382 |
| a | 8.5634 ± 0.0005 Å |
| b | 19.2808 ± 0.0011 Å |
| c | 8.6971 ± 0.0005 Å |
| α | 90° |
| β | 108.028 ± 0.001° |
| γ | 90° |
| Cell volume | 1365.47 ± 0.14 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179579 (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 4/50/44. |
4504405.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4504405.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504405.cif |
| 45109 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504405, 4504406 via cif-deposit CGI script. |
4504405.cif |
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Users of the data should acknowledge the original authors of the
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