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Information card for entry 7203069
Preview
| Coordinates | 7203069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H46 Fe N O13 S32 |
|---|---|
| Calculated formula | C54 H46 Fe N O13 S32 |
| Title of publication | Metallic molecular crystals containing chiral or racemic guest molecules |
| Authors of publication | Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 865 |
| a | 9.5456 ± 0.0006 Å |
| b | 11.1348 ± 0.0007 Å |
| c | 37.703 ± 0.002 Å |
| α | 82.05 ± 0.002° |
| β | 86.294 ± 0.002° |
| γ | 66.254 ± 0.002° |
| Cell volume | 3632.7 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.6814 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180361 (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 7/20/30. |
7203069.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203069.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203069.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7203069.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.