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Information card for entry 1519127
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| Coordinates | 1519127.cif |
|---|
| Formula | C58 H38 F48 Gd4 O27 |
|---|---|
| Calculated formula | C58 H26 F48 Gd4 O27 |
| Title of publication | C40H18F48Gd4O26, 3(C6H6), H2O |
| Authors of publication | Underhill, Allan E.; Hursthouse, Michael B.; Malik, K.M. Abdul |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1993 |
| Pages of publication | 1185 |
| a | 26.129 ± 0.009 Å |
| b | 12.714 ± 0.005 Å |
| c | 28.369 ± 0.007 Å |
| α | 90° |
| β | 116.96 ± 0.03° |
| γ | 90° |
| Cell volume | 8400 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0787 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.462 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519127.cif |
| 135430 | 2015-04-30 | cif/ Adding structures of 1519127 via cif-deposit CGI script. |
1519127.cif |
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Users of the data should acknowledge the original authors of the
structural data.