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Information card for entry 1520239
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Coordinates | 1520239.cif |
---|
Chemical name | Succinic acid & 4-methylimidazole |
---|---|
Formula | C8 H12 N2 O4 |
Calculated formula | C8 H12 N2 O4 |
Title of publication | 4-Methylimidazolium hemisuccinate hemisuccinic acid |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 473 |
a | 3.9015 ± 0.0002 Å |
b | 17.3293 ± 0.001 Å |
c | 13.8628 ± 0.0007 Å |
α | 90° |
β | 96.299 ± 0.003° |
γ | 90° |
Cell volume | 931.61 ± 0.09 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 all reflections | 0.0744 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520239.cif |
137858 | 2015-06-04 | cif/ Adding structures of 1520239 via cif-deposit CGI script. |
1520239.cif |
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Users of the data should acknowledge the original authors of the
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