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Information card for entry 4513370
Preview
| Coordinates | 4513370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H51 Cd0.14 Cu0.87 N12 O14.5 |
|---|---|
| Calculated formula | C52 H42 Cd0.13 Cu0.87 N12 O15.5 |
| Title of publication | A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties |
| Authors of publication | Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 3822 |
| a | 22.686 ± 0.005 Å |
| b | 16.143 ± 0.005 Å |
| c | 18.092 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 108.233 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 6293 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1537 |
| Residual factor for significantly intense reflections | 0.1004 |
| Weighted residual factors for significantly intense reflections | 0.2536 |
| Weighted residual factors for all reflections included in the refinement | 0.2988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513370.cif |
| 176428 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
4513370.cif |
| 154545 | 2015-09-05 | cif/ Updating files of 4513365, 4513366, 4513367, 4513368, 4513369, 4513370 Original log message: Adding full bibliography for 4513365--4513370.cif. |
4513370.cif |
| 140035 | 2015-07-05 | cif/ Adding structures of 4513365, 4513366, 4513367, 4513368, 4513369, 4513370 via cif-deposit CGI script. |
4513370.cif |
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Users of the data should acknowledge the original authors of the
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