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Information card for entry 4510251
Preview
| Coordinates | 4510251.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H66 Cu2 Ge N8 O49 W12 |
|---|---|
| Calculated formula | C22.655 H30.786 Cu2 Ge N5.508 O40.377 W12 |
| Title of publication | Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands |
| Authors of publication | Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2318 |
| a | 12.7695 ± 0.0002 Å |
| b | 13.0603 ± 0.0003 Å |
| c | 21.2588 ± 0.0005 Å |
| α | 79.433 ± 0.002° |
| β | 78.0316 ± 0.0018° |
| γ | 76.0427 ± 0.0018° |
| Cell volume | 3332.56 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1968 |
| Weighted residual factors for all reflections included in the refinement | 0.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179649 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02. |
4510251.cif |
| 115655 | 2014-06-05 | cif/ Updating files of 4510247, 4510248, 4510249, 4510250, 4510251 Original log message: Adding full bibliography for 4510247--4510251.cif. |
4510251.cif |
| 108433 | 2014-04-02 | cif/ Adding structures of 4510247, 4510248, 4510249, 4510250, 4510251 via cif-deposit CGI script. |
4510251.cif |
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Users of the data should acknowledge the original authors of the
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