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Information card for entry 2020055
Preview
| Coordinates | 2020055.cif |
|---|---|
| Structure factors | 2020055.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[copper(I)-μ-1,3-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propane] methanesulfonate dichloromethane 0.6-solvate] |
|---|---|
| Formula | C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 |
| Calculated formula | C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 |
| 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 | 16.4083 ± 0.0009 Å |
| b | 17.639 ± 0.002 Å |
| c | 21.6604 ± 0.0013 Å |
| α | 90° |
| β | 94.477 ± 0.006° |
| γ | 90° |
| Cell volume | 6250 ± 0.9 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.1648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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 |
2020055.cif 2020055.hkl |
| 176429 | 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. |
2020055.cif 2020055.hkl |
| 176428 | 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. |
2020055.cif 2020055.hkl |
| 152108 | 2015-07-16 | cif/ hkl/ Adding structures of 2020055, 2020056, 2020057 via cif-deposit CGI script. |
2020055.cif 2020055.hkl |
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Users of the data should acknowledge the original authors of the
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