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Information card for entry 7112340
Preview
| Coordinates | 7112340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H52 Cu2 N4 O16 |
|---|---|
| Calculated formula | C44 H52 Cu2 N4 O16 |
| Title of publication | A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes. |
| Authors of publication | do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 92 |
| Pages of publication | 10778 - 10780 |
| a | 8.8221 ± 0.0002 Å |
| b | 11.573 ± 0.0003 Å |
| c | 13.5452 ± 0.0003 Å |
| α | 68.274 ± 0.002° |
| β | 86.53 ± 0.002° |
| γ | 82.154 ± 0.002° |
| Cell volume | 1272.6 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0783 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.2447 |
| Weighted residual factors for all reflections included in the refinement | 0.2474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112340.cif |
| 180237 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/23. |
7112340.cif |
| 111478 | 2014-04-23 | cif/ Updating files of 7112340, 7112341, 7112342 Original log message: Adding full bibliography for 7112340--7112342.cif. |
7112340.cif |
| 110027 | 2014-04-18 | cif/ Adding structures of 7112340, 7112341, 7112342 via cif-deposit CGI script. |
7112340.cif |
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Users of the data should acknowledge the original authors of the
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