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Information card for entry 4322956
Preview
| Coordinates | 4322956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(dimethylamino)-2-hydroxycyclobutenedione |
|---|---|
| Formula | C6 H7 N O3 |
| Calculated formula | C6 H7 N O3 |
| Title of publication | Attempted Syntheses of Transition Metal and Lanthanide (Dialkylamino)squarates. The Hydrolysis Problem |
| Authors of publication | Hazel-Ann Hosein; Lincoln A. Hall; Alan J. Lough; William Desmarais; Michael J. Vela; Bruce M. Foxman |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 37 |
| Pages of publication | 4184 - 4189 |
| a | 5.0933 ± 0.0007 Å |
| b | 8.3314 ± 0.0006 Å |
| c | 15.087 ± 0.003 Å |
| α | 90° |
| β | 95.121 ± 0.012° |
| γ | 90° |
| Cell volume | 637.65 ± 0.16 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Goodness-of-fit parameter for significantly intense reflections | 1.0364 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4322956.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322956.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 {}' |
4322956.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322956.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322956.cif |
| 21905 | 2011-06-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4322956 via cif-deposit CGI script. |
4322956.cif |
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