Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239996
Preview
| Coordinates | 2239996.cif |
|---|---|
| Structure factors | 2239996.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[aquabis(μ-nitrato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>O</i>'')tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>'){μ~4~-tetraethyl [(ethane-1,2-diyl)bis(azanediyl)bis(2-oxoethane-2,1-diyl)]diphosphonate-κ^2^<i>O</i>,<i>O</i>'}disamarium(III)] |
|---|---|
| Formula | C14 H32 N8 O27 P2 Sm2 |
| Calculated formula | C14 H32 N8 O27 P2 Sm2 |
| Title of publication | Crystal structure of a samarium(III) nitrate chain cross-linked by a bis-carbamoylmethylphosphine oxide ligand |
| Authors of publication | Stoscup, Julie A.; Staples, Richard J.; Biros, Shannon M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 188 - 191 |
| a | 8.9416 ± 0.0007 Å |
| b | 11.0128 ± 0.0009 Å |
| c | 18.4635 ± 0.0015 Å |
| α | 81.441 ± 0.001° |
| β | 83.428 ± 0.001° |
| γ | 86.977 ± 0.001° |
| Cell volume | 1784.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239996.cif 2239996.hkl |
| 181318 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/99. |
2239996.cif 2239996.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239996.cif 2239996.hkl |
| 123957 | 2014-09-18 | cif/ hkl/ Adding structures of 2239996 via cif-deposit CGI script. |
2239996.cif 2239996.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.