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Information card for entry 2300356
Preview
| Coordinates | 2300356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | alpha oxalic acid dihydrate |
|---|---|
| Formula | C2 H6 O6 |
| Calculated formula | C2 H6 O6 |
| SMILES | OC(=O)C(=O)O.O.O |
| Title of publication | Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor |
| Authors of publication | Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng; Stoica, Alexandru D.; Popovici, Mihai; Sundaram, Madhan; Zhou, Wenduo; Hicks, J. Steve; Lynn, Gary W.; Riedel, Richard A. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2011 |
| Journal volume | 44 |
| Journal issue | 3 |
| Pages of publication | 655 - 658 |
| a | 6.0514 ± 0.0002 Å |
| b | 3.5482 ± 0.0016 Å |
| c | 11.996 ± 0.004 Å |
| α | 90° |
| β | 106.26 ± 0.03° |
| γ | 90° |
| Cell volume | 247.27 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1877 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176809 (current) | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300356.cif |
| 127926 | 2014-11-27 | cif/2 Fixing Z values and formulae for several entries |
2300356.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2300356.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
2300356.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2300356.cif |
| 22381 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2300356 via cif-deposit CGI script. |
2300356.cif |
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Users of the data should acknowledge the original authors of the
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