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Information card for entry 2240956
Preview
| Coordinates | 2240956.cif |
|---|---|
| Structure factors | 2240956.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[hemi(1,3-bis(2,6-diisopropyl)imidazolium) [[μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>'- tri-μ~2~-acetato-κ^6^<i>O</i>:<i>O</i>'-dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ-chlorido] dichloromethane sesquisolvate] |
|---|---|
| Formula | C46 H67 Cl7 Cu4 N2 O16 |
| Calculated formula | C46 H67 Cl7 Cu4 N2 O16 |
| Title of publication | Crystal structure of <i>catena</i>-poly[hemi[1,3-bis(2,6-diisopropyl)imidazolium] [[μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>'-tri-μ~2~-acetato-κ^6^<i>O</i>:<i>O</i>'-dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ-chlorido] dichloromethane sesquisolvate] |
| Authors of publication | Iqbal, Mohammad; Raftery, James; Quayle, Peter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | m148 - m149 |
| a | 22.097 ± 0.002 Å |
| b | 13.146 ± 0.002 Å |
| c | 23.607 ± 0.003 Å |
| α | 90° |
| β | 117.122 ± 0.004° |
| γ | 90° |
| Cell volume | 6103.5 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240956.cif 2240956.hkl |
| 152535 | 2015-07-25 | cif/ hkl/ Adding structures of 2240956 via cif-deposit CGI script. |
2240956.cif 2240956.hkl |
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