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Information card for entry 1500002
Preview
| Coordinates | 1500002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H22 Cd Cl4 N8 O2 |
|---|---|
| Calculated formula | C14 H22 Cd Cl4 N8 O2 |
| SMILES | [Cd](Cl)(Cl)([Cl-])[Cl-].O.O.n1n2c(cc(nc2[nH+]c1)C)C.n1n2c(cc(nc2[nH+]c1)C)C |
| Title of publication | Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives |
| Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2008 |
| Journal volume | 882 |
| Pages of publication | 30 - 34 |
| a | 13.786 ± 0.0007 Å |
| b | 9.4013 ± 0.0005 Å |
| c | 17.6679 ± 0.0009 Å |
| α | 90° |
| β | 98.672 ± 0.001° |
| γ | 90° |
| Cell volume | 2263.7 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0236 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (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 1. |
1500002.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1500002.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1500002.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1500002.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
1500002.cif |
| 457 | 2008-10-13 | Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions. |
1500002.cif |
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