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Information card for entry 4116804
Preview
| Coordinates | 4116804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H60 Cl N8 O4 Rh2 |
|---|---|
| Calculated formula | C58 H58 Cl0.48 N8 O3 Rh0.5 |
| Title of publication | Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study |
| Authors of publication | Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1998 |
| Journal volume | 120 |
| Pages of publication | 8136 - 8142 |
| a | 14.3327 ± 0.0008 Å |
| b | 14.3327 ± 0.0008 Å |
| c | 14.371 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2952.2 ± 0.5 Å3 |
| Cell temperature | 253.2 K |
| Ambient diffraction temperature | 253.2 K |
| Number of distinct elements | 6 |
| Space group number | 126 |
| Hermann-Mauguin space group symbol | P 4/n n c :2 |
| Hall space group symbol | -P 4a 2bc |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0457 |
| Goodness-of-fit parameter for significantly intense reflections | 1.744 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116804.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4116804.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116804.cif |
| 72975 | 2013-02-04 | cif/ Adding structures of 4116804 via cif-deposit CGI script. |
4116804.cif |
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Users of the data should acknowledge the original authors of the
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