Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019874
Preview
| Coordinates | 2019874.cif |
|---|---|
| Structure factors | 2019874.hkl |
| Original paper (by DOI) | HTML |
| Common name | <i>catena</i>-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^5^] hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^]bis[triaquamagnesium(II)]} monohydrate] |
|---|---|
| Formula | C4 H16 Mg2 N18 O7 |
| Calculated formula | C4 H16 Mg2 N18 O7 |
| SMILES | O.[Mg]12([OH2])([OH2])([OH2])n3c(Nc4n1nnn4)nn[n]3[Mg]1([OH2])([OH2])([OH2])n3c(Nc4nnnn14)nn[n]23.O.[Mg]1([OH2])([OH2])([OH2])n2c(Nc3n1nnn3)nn[n]2[Mg]1([OH2])([OH2])([OH2])n2c(Nc3nnnn13)nnn2 |
| 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 | 10.193 ± 0.003 Å |
| b | 23.924 ± 0.002 Å |
| c | 7.284 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1776.3 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
2019874.cif 2019874.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. |
2019874.cif 2019874.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019874.cif 2019874.hkl |
| 132166 | 2015-02-21 | cif/ hkl/ Adding structures of 2019874, 2019875 via cif-deposit CGI script. |
2019874.cif 2019874.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.