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Information card for entry 7039617
Preview
| Coordinates | 7039617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H60 N4 O9 Ti2 |
|---|---|
| Calculated formula | C46 H60 N4 O9 Ti2 |
| Title of publication | Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(iv) for the copolymerization of cyclohexene oxide with CO2. |
| Authors of publication | Hessevik, Julie; Lalrempuia, Ralte; Nsiri, Hajar; Törnroos, Karl W; Jensen, Vidar R.; Le Roux, Erwan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 37 |
| Pages of publication | 14734 - 14744 |
| a | 29.1 ± 0.004 Å |
| b | 19.218 ± 0.003 Å |
| c | 20.797 ± 0.003 Å |
| α | 90° |
| β | 130.641 ± 0.002° |
| γ | 90° |
| Cell volume | 8825 ± 2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039617.cif |
| 187146 | 2016-10-08 | cif/ Updating files of 7039616, 7039617, 7039618 Original log message: Adding full bibliography for 7039616--7039618.cif. |
7039617.cif |
| 183869 | 2016-06-23 | cif/ Adding structures of 7039616, 7039617, 7039618 via cif-deposit CGI script. |
7039617.cif |
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Users of the data should acknowledge the original authors of the
structural data.