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Information card for entry 1518878
Preview
| Coordinates | 1518878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | compound Zr-1 |
|---|---|
| Formula | C34 H39 B Cl2 N2 O Si Zr |
| Calculated formula | C34 H39 B Cl2 N2 O Si Zr |
| SMILES | [Zr]1([O]2CCCC2)(Cl)(Cl)N([Si](C21c1c(c3c2cccc3)cccc1)(C)C)c1[n]2c(ccc1)c1c(cccc1)[B]2(CC)CC |
| Title of publication | Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization |
| Authors of publication | Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R. |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 17 |
| Pages of publication | 3290 |
| a | 8.8424 ± 0.0006 Å |
| b | 12.4631 ± 0.0009 Å |
| c | 16.1075 ± 0.0012 Å |
| α | 105.517 ± 0.004° |
| β | 91.645 ± 0.003° |
| γ | 106.554 ± 0.003° |
| Cell volume | 1628.9 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
1518878.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1518878.cif |
| 138881 | 2015-06-07 | cif/ Updating files of 1518877, 1518878, 1518879, 1518880, 1518881 Original log message: Adding full bibliography for 1518877--1518881.cif. |
1518878.cif |
| 134180 | 2015-03-20 | cif/ Adding structures of 1518877, 1518878, 1518879, 1518880, 1518881 via cif-deposit CGI script. |
1518878.cif |
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Users of the data should acknowledge the original authors of the
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