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Information card for entry 4329134
Preview
| Coordinates | 4329134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cr-F-Gd square |
|---|---|
| Formula | C52 H48 Cr2 F4 Gd2 N16 O29 |
| Calculated formula | C52 H48 Cr2 F4 Gd2 N16 O29 |
| SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[Cr]124([F][Gd]3456(ON(=[O]3)=O)(ON(=[O]4)=O)([F][Cr]34([F][Gd]789%10([F]1)(ON(=[O]7)=O)(ON(=[O]8)=O)(ON(=[O]9)=O)ON(=[O]%10)=O)([n]1cccc7ccc8ccc[n]3c8c17)[n]1cccc3ccc7ccc[n]4c7c13)(ON(=[O]5)=O)ON(=[O]6)=O)[n]1cccc3ccc4ccc[n]2c4c13.CO.O.CO.CO.CO |
| Title of publication | Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry |
| Authors of publication | Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 5435 - 5443 |
| a | 17.5173 ± 0.0015 Å |
| b | 17.5173 ± 0.0014 Å |
| c | 20.896 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6412.1 ± 1.2 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 130 |
| Hermann-Mauguin space group symbol | P 4/n c c :2 |
| Hall space group symbol | -P 4a 2ac |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.382 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179394 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91. |
4329134.cif |
| 78174 | 2013-04-01 | cif/ Adding structures of 4329134 via cif-deposit CGI script. |
4329134.cif |
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Users of the data should acknowledge the original authors of the
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