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Information card for entry 1513009
Preview
| Coordinates | 1513009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C135 H110 Cr2 N4 O9 |
|---|---|
| Calculated formula | C65.5 H51 Cr N2 O4 |
| SMILES | [Cr]1234(OC(c5[n]3c(ccc5)C(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1[n]4c(ccc1)C([OH]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1 |
| Title of publication | Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene |
| Authors of publication | Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 396 |
| Pages of publication | 136 - 143 |
| a | 12.7934 ± 0.0005 Å |
| b | 12.8886 ± 0.0005 Å |
| c | 16.6146 ± 0.0007 Å |
| α | 103.038 ± 0.001° |
| β | 98.875 ± 0.001° |
| γ | 96.789 ± 0.001° |
| Cell volume | 2603.45 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513009.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1513009.cif |
| 91333 | 2013-12-12 | cif/ Adding structures of 1513009 via cif-deposit CGI script. |
1513009.cif |
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