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Information card for entry 7033766
Preview
| Coordinates | 7033766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 Cl2 N2 O2 Zr |
|---|---|
| Calculated formula | C20 H28 Cl2 N2 O2 Zr |
| SMILES | C1CC[O]([Zr]2(N3CCCc4c3c3c(CCCN23)cc4)([O]2CCCC2)(Cl)Cl)C1 |
| Title of publication | Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization. |
| Authors of publication | Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 8 |
| Pages of publication | 3845 - 3855 |
| a | 15.9174 ± 0.0004 Å |
| b | 10.676 ± 0.0003 Å |
| c | 14.1935 ± 0.0006 Å |
| α | 90° |
| β | 116.042 ± 0.001° |
| γ | 90° |
| Cell volume | 2167.08 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180043 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/37. |
7033766.cif |
| 133408 | 2015-03-06 | cif/ Updating files of 7033764, 7033765, 7033766, 7033767, 7033768 Original log message: Adding full bibliography for 7033764--7033768.cif. |
7033766.cif |
| 130072 | 2015-01-23 | cif/ Adding structures of 7033764, 7033765, 7033766, 7033767, 7033768 via cif-deposit CGI script. |
7033766.cif |
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Users of the data should acknowledge the original authors of the
structural data.