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Information card for entry 7033768
Preview
| Coordinates | 7033768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H56 Hf N2 |
|---|---|
| Calculated formula | C44 H56 Hf N2 |
| SMILES | [Hf]1([n]2c(ccc3c2c2N1[C@@H](CCc2cc3)C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.C(CC)CC |
| 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 | 10.362 ± 0.002 Å |
| b | 13.598 ± 0.003 Å |
| c | 28.407 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4002.6 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7033768.cif |
| 133408 | 2015-03-06 | cif/ Updating files of 7033764, 7033765, 7033766, 7033767, 7033768 Original log message: Adding full bibliography for 7033764--7033768.cif. |
7033768.cif |
| 130072 | 2015-01-23 | cif/ Adding structures of 7033764, 7033765, 7033766, 7033767, 7033768 via cif-deposit CGI script. |
7033768.cif |
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Users of the data should acknowledge the original authors of the
structural data.