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Information card for entry 1536878
Preview
| Coordinates | 1536878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 6 |
|---|---|
| Formula | C36 H52 N4 O4 Zn |
| Calculated formula | C36 H52 N4 O4 Zn |
| SMILES | [Zn]12(Oc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)(Oc1c(O2)cc(cc1C(C)(C)C)C(C)(C)C)([n]1cn(cc1)C)[n]1cn(cc1)C |
| Title of publication | Redox-promoted associative assembly of metal–organic materials |
| Authors of publication | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 707 |
| a | 10.6541 ± 0.0009 Å |
| b | 19.7432 ± 0.0017 Å |
| c | 17.8899 ± 0.0015 Å |
| α | 90° |
| β | 99.193 ± 0.001° |
| γ | 90° |
| Cell volume | 3714.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1079 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1536878.cif |
| 175918 | 2016-02-04 | cif/ Updating files of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 Original log message: Adding full bibliography for 1536875--1536882.cif. |
1536878.cif |
| 164766 | 2015-10-10 | cif/ Adding structures of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 via cif-deposit CGI script. |
1536878.cif |
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Users of the data should acknowledge the original authors of the
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