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Information card for entry 4511944
Preview
| Coordinates | 4511944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 Al3 N2 O21 |
|---|---|
| Calculated formula | C16 Al3 N2 O21 |
| Title of publication | Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework |
| Authors of publication | Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 5310 |
| a | 37.133 ± 0.0013 Å |
| b | 11.5278 ± 0.0004 Å |
| c | 6.51553 ± 0.00018 Å |
| α | 90° |
| β | 109.266 ± 0.003° |
| γ | 90° |
| Cell volume | 2632.85 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor R(I) for significantly intense reflections | 0.03 |
| Goodness-of-fit parameter for all reflections | 1.09523 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.827164 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179666 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511944.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4511944.cif |
| 124646 | 2014-10-06 | cif/ Updating files of 4511941, 4511942, 4511943, 4511944 Original log message: Adding full bibliography for 4511941--4511944.cif. |
4511944.cif |
| 123230 | 2014-09-07 | cif/ Adding structures of 4511944 via cif-deposit CGI script. |
4511944.cif |
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