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Information card for entry 7200506
Preview
| Coordinates | 7200506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H60 Cl3 N7 O14 Zn |
|---|---|
| Calculated formula | C25 H56 Cl3 N7 O14 Zn |
| Title of publication | Proton switching of polarity in metalloamphiphile crystals |
| Authors of publication | Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 249 - 253 |
| a | 8.635 ± 0.001 Å |
| b | 8.67 ± 0.001 Å |
| c | 14.688 ± 0.002 Å |
| α | 89.29 ± 0.01° |
| β | 88.85 ± 0.01° |
| γ | 60.12 ± 0.01° |
| Cell volume | 953.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.884 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218478 (current) | 2019-09-18 | cif/7/20/05/ Replaced the incorrect bibliographical reference to the original publication with a proper one in entries 7200506-7200507. |
7200506.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7200506.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200506.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200506.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200506.cif |
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Users of the data should acknowledge the original authors of the
structural data.