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Information card for entry 7111994
Preview
| Coordinates | 7111994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl H100 Mn3 N11 Na4 O122 Se6 W24 |
|---|---|
| Calculated formula | Cl Mn3 N11 Na3.7 O122 Se6 W24 |
| Title of publication | Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles |
| Authors of publication | Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2155 |
| a | 34.2145 ± 0.0006 Å |
| b | 17.0782 ± 0.0002 Å |
| c | 25.5489 ± 0.0005 Å |
| α | 90° |
| β | 123.828 ± 0.003° |
| γ | 90° |
| Cell volume | 12401.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7111994.cif |
| 180233 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/19. |
7111994.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7111994.cif |
| 103202 | 2014-02-27 | cif/ Adding structures of 7111990, 7111991, 7111992, 7111993, 7111994 via cif-deposit CGI script. |
7111994.cif |
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Users of the data should acknowledge the original authors of the
structural data.