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Information card for entry 7053592
Preview
| Coordinates | 7053592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H35 Cr N6 O11.5 P3 |
|---|---|
| Calculated formula | C9 H35 Cr N6 O11.5 P3 |
| SMILES | [Cr]123([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)[NH2]CCC[NH2]3.P1(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-].O.O.O |
| Title of publication | Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds |
| Authors of publication | Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2010 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2777 |
| a | 10.4697 ± 0.0003 Å |
| b | 14.984 ± 0.0003 Å |
| c | 28.6381 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4492.69 ± 0.18 Å3 |
| Cell temperature | 103.1 K |
| Ambient diffraction temperature | 103.1 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053592.cif |
| 275251 | 2022-05-09 | cif/7/05/35/ Replaced the '€' sequence with a backslash symbol ('\') in multiple data values in entries 7053589-7053592. |
7053592.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7053592.cif |
| 123941 | 2014-09-17 | cif/7 Fixing Z value and formulae for several entries |
7053592.cif |
| 93730 | 2014-01-13 | cif/ Adding structures of 7053589, 7053590, 7053591, 7053592 via cif-deposit CGI script. |
7053592.cif |
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