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Information card for entry 2020057
Preview
| Coordinates | 2020057.cif |
|---|---|
| Structure factors | 2020057.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(perchlorate)‒dichloromethane‒methanol (1/2/1) |
|---|---|
| Formula | C55 H48 Cl6 Cu2 N12 O13 S4 |
| Calculated formula | C55 H48 Cl6 Cu2 N12 O13 S4 |
| Title of publication | Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands |
| Authors of publication | Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 11.2499 ± 0.0011 Å |
| b | 11.5798 ± 0.0011 Å |
| c | 13.6976 ± 0.0015 Å |
| α | 67.635 ± 0.01° |
| β | 81.106 ± 0.009° |
| γ | 75.524 ± 0.008° |
| Cell volume | 1594.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1627 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.1923 |
| Weighted residual factors for all reflections included in the refinement | 0.2513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020057.cif 2020057.hkl |
| 152108 | 2015-07-16 | cif/ hkl/ Adding structures of 2020055, 2020056, 2020057 via cif-deposit CGI script. |
2020057.cif 2020057.hkl |
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Users of the data should acknowledge the original authors of the
structural data.