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Information card for entry 2019875
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| Coordinates | 2019875.cif |
|---|---|
| Structure factors | 2019875.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[5-(pyrazin-2-yl)tetrazolate] hexaaquamagnesium(II) |
|---|---|
| Formula | C10 H18 Mg N12 O6 |
| Calculated formula | C10 H18 Mg N12 O6 |
| SMILES | c1(nn[n-]n1)c1cnccn1.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].c1cncc(c2[n-]nnn2)n1 |
| Title of publication | Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms |
| Authors of publication | Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| a | 7.868 ± 0.002 Å |
| b | 8.268 ± 0.003 Å |
| c | 8.608 ± 0.002 Å |
| α | 63.59 ± 0.02° |
| β | 68.56 ± 0.03° |
| γ | 80.47 ± 0.02° |
| Cell volume | 466.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019875.cif 2019875.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019875.cif 2019875.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019875.cif 2019875.hkl |
| 132166 | 2015-02-21 | cif/ hkl/ Adding structures of 2019874, 2019875 via cif-deposit CGI script. |
2019875.cif 2019875.hkl |
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Users of the data should acknowledge the original authors of the
structural data.