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Information card for entry 7018149
Preview
| Coordinates | 7018149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 Mn2 O9 S |
|---|---|
| Calculated formula | C8 H6 Mn2 O9 S |
| Title of publication | Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd). |
| Authors of publication | Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 9 |
| Pages of publication | 2639 - 2647 |
| a | 8.3817 ± 0.0007 Å |
| b | 12.2159 ± 0.001 Å |
| c | 22.1945 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2272.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179885 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81. |
7018149.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018149.cif |
| 37665 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018147, 7018148, 7018149, 7018150, 7018151, 7018152 via cif-deposit CGI script. |
7018149.cif |
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Users of the data should acknowledge the original authors of the
structural data.