Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7024302
Preview
| Coordinates | 7024302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H43 B F20 N2 Si4 Zr2 |
|---|---|
| Calculated formula | C53 H44 B F20 N2 Si4 Zr2 |
| SMILES | [Zr]123456789%10(N([Si]([c]%112[cH]1[cH]6[cH]4[cH]7%11)(C)C)[Si](C)([c]1%10[cH]3[cH]8[cH]5[cH]91)C)[CH3][Zr]123456789%10N([Si]([c]%111[cH]8[cH]%10[cH]3[cH]9%11)(C)C)[Si]([c]14[cH]5[cH]7[cH]2[cH]61)(C)C.Fc1c(F)c(c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(c(F)c(F)c(c1F)F)F)c1c(F)c(F)c(F)c(c1F)F)F |
| Title of publication | The amido-bridged zirconocene's reactivity and catalytic behavior for ethylene polymerization. |
| Authors of publication | Wang, Cun; van Meurs, Martin; Stubbs, Ludger P.; Tay, Boon-Ying; Tan, Xiang-Jie; Aitipamula, Srinivasulu; Chacko, Jacob; Luo, He-Kuan; Wong, Pui-Kwan; Ye, Suming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 807 - 814 |
| a | 12.554 ± 0.003 Å |
| b | 15.672 ± 0.003 Å |
| c | 16.284 ± 0.003 Å |
| α | 100.12 ± 0.03° |
| β | 103.26 ± 0.03° |
| γ | 111.69 ± 0.03° |
| Cell volume | 2774.8 ± 1.4 Å3 |
| Cell temperature | 110.15 ± 0.02 K |
| Ambient diffraction temperature | 110.15 ± 0.02 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.22 |
| Weighted residual factors for all reflections included in the refinement | 0.2743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179948 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43. |
7024302.cif |
| 92364 | 2014-01-12 | cif/ Adding structures of 7024300, 7024301, 7024302 via cif-deposit CGI script. |
7024302.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.