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Information card for entry 4081867
Preview
| Coordinates | 4081867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H53 N5 Ti |
|---|---|
| Calculated formula | C31 H53 N5 Ti |
| SMILES | [Ti]1([N](c2c(cccc2C(C)C)C(C)C)=CN1c1c(cccc1C(C)C)C(C)C)(N(C)C)(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 | 11.2498 ± 0.0001 Å |
| b | 15.8321 ± 0.0001 Å |
| c | 19.7913 ± 0.0002 Å |
| α | 106.551 ± 0.0006° |
| β | 93.934 ± 0.0005° |
| γ | 106.914 ± 0.0008° |
| Cell volume | 3188.38 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0685 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
4081867.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. |
4081867.cif |
| 91786 | 2013-12-13 | cif/ Adding structures of 4081865, 4081866, 4081867, 4081868, 4081869, 4081870 via cif-deposit CGI script. |
4081867.cif |
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Users of the data should acknowledge the original authors of the
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