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Information card for entry 4081870
Preview
| Coordinates | 4081870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Moris-312 (Naveen) |
|---|---|
| Formula | C38 H50 N6 O4 Ti |
| Calculated formula | C38 H50 N6 O4 Ti |
| SMILES | [Ti]12([N](=C(N1c1ccccc1OC)CC)c1ccccc1OC)([N](=C(N2c1c(OC)cccc1)CC)c1c(OC)cccc1)(N(C)C)N(C)C |
| Title of publication | Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins |
| Authors of publication | Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 21 |
| Pages of publication | 6337 |
| a | 10.6 ± 0.002 Å |
| b | 11.158 ± 0.002 Å |
| c | 17.088 ± 0.003 Å |
| α | 72.29 ± 0.02° |
| β | 82.6 ± 0.02° |
| γ | 79.33 ± 0.02° |
| Cell volume | 1886.3 ± 0.6 Å3 |
| Cell temperature | 180 ± 1 K |
| Ambient diffraction temperature | 180 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1694 |
| Weighted residual factors for all reflections included in the refinement | 0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4081870.cif |
| 178707 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18. |
4081870.cif |
| 91786 | 2013-12-13 | cif/ Adding structures of 4081865, 4081866, 4081867, 4081868, 4081869, 4081870 via cif-deposit CGI script. |
4081870.cif |
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Users of the data should acknowledge the original authors of the
structural data.