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Information card for entry 4504789
Preview
| Coordinates | 4504789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H10 N O9 P3 Sr |
|---|---|
| Calculated formula | C3 H10 N O9 P3 Sr |
| Title of publication | Alkaline Earth Metal Organotriphosphonates: Inorganic−Organic Polymeric Hybrids from Dication−Dianion Association |
| Authors of publication | Demadis, Konstantinos D.; Katarachia, Stella D.; Raptis, Raphael G.; Zhao, Hong; Baran, Peter |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 836 |
| a | 8.0693 ± 0.0016 Å |
| b | 13.85 ± 0.003 Å |
| c | 9.985 ± 0.003 Å |
| α | 90° |
| β | 105.765 ± 0.009° |
| γ | 90° |
| Cell volume | 1073.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504789.cif |
| 179582 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/47. |
4504789.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504789.cif |
| 47533 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504789 via cif-deposit CGI script. |
4504789.cif |
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Users of the data should acknowledge the original authors of the
structural data.