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Information card for entry 4326665
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| Coordinates | 4326665.cif |
|---|---|
| Structure factors | 4326665.hkl |
| Original paper (by DOI) | HTML |
| Formula | C12 O6 Sc |
|---|---|
| Calculated formula | C12 O6 Sc |
| Title of publication | Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives |
| Authors of publication | John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 10844 - 10858 |
| a | 8.75434 ± 0.00014 Å |
| b | 34.38536 ± 0.00013 Å |
| c | 11.14542 ± 0.00008 Å |
| α | 90° |
| β | 111.479 ± 0.0008° |
| γ | 90° |
| Cell volume | 3122.01 ± 0.06 Å3 |
| Cell temperature | 140 K |
| Ambient diffraction temperature | 140 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| RFsqd | 0.09034 |
| Goodness-of-fit parameter for all reflections | 1.46 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.826019 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181931 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/32. |
4326665.cif 4326665.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. |
4326665.cif 4326665.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4326665.cif 4326665.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4326665.cif 4326665.hkl |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326665.cif 4326665.hkl |
| 49590 | 2012-03-27 | hkl/4 Adding/moving to proper place several Fobs files |
4326665.cif 4326665.hkl |
| 49439 | 2012-03-27 | ../uploads/cif-deposit/cod/cif ../uploads/cif-deposit/cod/hkl Adding structures of 4326665 via cif-deposit CGI script. |
4326665.cif |
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Users of the data should acknowledge the original authors of the
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