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Information card for entry 4333322
Preview
| Coordinates | 4333322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H88 Cl3 Cu6 F18 N6 O33 Y3 |
|---|---|
| Calculated formula | C44 H88 Cl3 Cu6 F18 N6 O33 Y3 |
| Title of publication | Cubane variations: syntheses, structures, and magnetic property analyses of lanthanide(III)-copper(II) architectures with controlled nuclearities. |
| Authors of publication | Aronica, Christophe; Chastanet, Guillaume; Pilet, Guillaume; Le Guennic, Boris; Robert, Vincent; Wernsdorfer, Wolfgang; Luneau, Dominique |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 15 |
| Pages of publication | 6108 - 6119 |
| a | 29 ± 0.002 Å |
| b | 15.1494 ± 0.0008 Å |
| c | 25.742 ± 0.002 Å |
| α | 90° |
| β | 122.558 ± 0.002° |
| γ | 90° |
| Cell volume | 9532 ± 1.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1415 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections | 0.1192 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333322.cif |
| 179436 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33. |
4333322.cif |
| 116736 | 2014-06-13 | cif/ Updating files of 4333320, 4333321, 4333322, 4333323 Original log message: Adding full bibliography for 4333320--4333323.cif. |
4333322.cif |
| 98930 | 2014-01-30 | cif/ Adding structures of 4333322 via cif-deposit CGI script. |
4333322.cif |
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Users of the data should acknowledge the original authors of the
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