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Information card for entry 2105253
Preview
| Coordinates | 2105253.cif |
|---|---|
| Structure factors | 2105253.hkl |
| Original IUCr paper | HTML |
| Formula | C21 H25.5 Gd N4.5 O12 |
|---|---|
| Calculated formula | C21 H25.5 Gd N4.5 O12 |
| Title of publication | Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate |
| Authors of publication | Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | 528 - 535 |
| a | 21.622 ± 0.004 Å |
| b | 16.8 ± 0.003 Å |
| c | 16.317 ± 0.003 Å |
| α | 90° |
| β | 119.628 ± 0.004° |
| γ | 90° |
| Cell volume | 5152.2 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.024 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0484 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180911 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/52. |
2105253.cif 2105253.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2105253.cif 2105253.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105253.cif 2105253.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2105253.cif 2105253.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2105253.cif 2105253.hkl |
| 69904 | 2012-12-21 | cif/ Adding structures of 2105253, 2105254, 2105255 via cif-deposit CGI script. |
2105253.cif |
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Users of the data should acknowledge the original authors of the
structural data.