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Information card for entry 1529472
Preview
| Coordinates | 1529472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cd3(N4CCH2COO)2(OH)2]n |
|---|---|
| Chemical name | [Cd3(N4CCH2COO)2(OH)2]n |
| Formula | C6 H6 Cd3 N8 O6 |
| Calculated formula | C6 H4 Cd3 N8 O6 |
| Title of publication | An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid |
| Authors of publication | Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 39 |
| Pages of publication | 7473 |
| a | 12.808 ± 0.013 Å |
| b | 24.306 ± 0.008 Å |
| c | 7.7275 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2406 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0236 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0304 |
| Weighted residual factors for all reflections included in the refinement | 0.0316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529472.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1529472.cif |
| 171022 | 2015-12-09 | cif/ Updating files of 1529472 Original log message: Adding full bibliography for 1529472.cif. |
1529472.cif |
| 153705 | 2015-08-27 | cif/ Adding structures of 1529472 via cif-deposit CGI script. |
1529472.cif |
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