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Information card for entry 7201077
Preview
| Coordinates | 7201077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H58 Cu2 N8 O13 S4 |
|---|---|
| Calculated formula | C52 H58 Cu2 N8 O13 S4 |
| Title of publication | Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands |
| Authors of publication | Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2516 |
| a | 17.258 ± 0.005 Å |
| b | 10.889 ± 0.003 Å |
| c | 31.014 ± 0.008 Å |
| α | 90° |
| β | 95.417 ± 0.004° |
| γ | 90° |
| Cell volume | 5802 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0707 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201077.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201077.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201077.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201077.cif |
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Users of the data should acknowledge the original authors of the
structural data.