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Information card for entry 8102417
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| Coordinates | 8102417.cif |
|---|
| Chemical name | Diaqua(2-methylpyrazine-5-carboxylic acid)copper(II) dinitrate dihydrate, [Cu(C~6~H~6~N~2~O~2~)~2~(H~2~O)~2~]2NO~3~2H~2~O |
|---|---|
| Formula | C12 H20 Cu N6 O14 |
| Calculated formula | C12 H20 Cu N6 O14 |
| Title of publication | Crystal structure of diaqua(2-methylpyrazine-5-carboxylato)copper(II) dinitrate dihydrate, [Cu(C6H6N2O2)2(H2O)2][NO3]2 · 2H2O |
| Authors of publication | Bin Liu; Bo-Lun Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 1 |
| Pages of publication | 135 |
| a | 8.3776 ± 0.0014 Å |
| b | 16.239 ± 0.003 Å |
| c | 7.6749 ± 0.0013 Å |
| α | 90° |
| β | 98.532 ± 0.003° |
| γ | 90° |
| Cell volume | 1032.6 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102417.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102417.cif |
| 13156 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102417 via cif-deposit CGI script. |
8102417.cif |
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Users of the data should acknowledge the original authors of the
structural data.