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Information card for entry 7217271
Preview
| Coordinates | 7217271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H52 Cl2 O11 P2 Zn |
|---|---|
| Calculated formula | C42 H52 Cl2 O11 P2 Zn |
| SMILES | [Zn](Cl)(Cl)(OC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O.O.O |
| Title of publication | Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding |
| Authors of publication | Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 38 |
| Pages of publication | 9010 |
| a | 13.1245 ± 0.0005 Å |
| b | 17.9402 ± 0.0006 Å |
| c | 18.6539 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4392.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180503 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72. |
7217271.cif |
| 124676 | 2014-10-06 | cif/ Updating files of 7217262, 7217263, 7217264, 7217265, 7217266, 7217267, 7217268, 7217269, 7217270, 7217271, 7217272, 7217273, 7217274 Original log message: Adding full bibliography for 7217262--7217274.cif. |
7217271.cif |
| 120980 | 2014-07-31 | cif/ Adding structures of 7217262, 7217263, 7217264, 7217265, 7217266, 7217267, 7217268, 7217269, 7217270, 7217271, 7217272, 7217273, 7217274 via cif-deposit CGI script. |
7217271.cif |
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