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Information card for entry 4330474
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| Coordinates | 4330474.cif |
|---|---|
| Structure factors | 4330474.hkl |
| Original paper (by DOI) | HTML |
| Formula | C4 H6 Mn2 O8 P2 S |
|---|---|
| Calculated formula | C4 H6 Mn2 O8 P2 S |
| Title of publication | Structural Study of Hydrated/Dehydrated Manganese Thiophene-2,5-diphosphonate Metal Organic Frameworks, Mn2(O3P-C4H2S-PO3).2H2O |
| Authors of publication | Jean-Michel Rueff; Olivier Perez; Alain Pautrat; Nicolas Barrier; Gary B. Hix; Sylvie Hernot; Hélène Couthon-Gourvès; Paul-Alain Jaffrès |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 10251 - 10261 |
| a | 7.5359 ± 0.0003 Å |
| b | 7.5524 ± 0.0003 Å |
| c | 18.305 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1041.81 ± 0.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n a m |
| Hall space group symbol | -P 2c 2n |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for significantly intense reflections | 1.48 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.37 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181932 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4330474.cif 4330474.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4330474.cif 4330474.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4330474.cif 4330474.hkl |
| 79744 | 2013-04-05 | cif/ hkl/ Adding structures of 4330474 via cif-deposit CGI script. |
4330474.cif 4330474.hkl |
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Users of the data should acknowledge the original authors of the
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