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Information card for entry 4341986
Preview
| Coordinates | 4341986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis((3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii)) bis(succinate) dimethylformamide tetra-solvate |
|---|---|
| Formula | C72 H116 Cu2 N28 O24 |
| Calculated formula | C72 H116 Cu2 N28 O24 |
| Title of publication | Oxo-anion recognition by mono- and bisurea pendant-arm macrocyclic complexes. |
| Authors of publication | Boiocchi, Massimo; Licchelli, Maurizio; Milani, Michele; Poggi, Antonio; Sacchi, Donatella |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 47 - 58 |
| a | 9.3285 ± 0.0009 Å |
| b | 12.55 ± 0.0012 Å |
| c | 18.9817 ± 0.0018 Å |
| α | 92.6312 ± 0.0018° |
| β | 93.559 ± 0.0018° |
| γ | 101.924 ± 0.002° |
| Cell volume | 2166.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179522 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19. |
4341986.cif |
| 130591 | 2015-02-04 | cif/ Updating files of 4341984, 4341985, 4341986 Original log message: Adding full bibliography for 4341984--4341986.cif. |
4341986.cif |
| 129148 | 2014-12-30 | cif/ Adding structures of 4341984, 4341985, 4341986 via cif-deposit CGI script. |
4341986.cif |
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Users of the data should acknowledge the original authors of the
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