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Information card for entry 4072465
Preview
| Coordinates | 4072465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H90 F11 N6 P Ti3 |
|---|---|
| Calculated formula | C54 H90 F11 N6 P Ti3 |
| SMILES | [Ti]123([F][Ti]45([F][Ti]([F]24)([F]35)([F]1)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Alkylation, Cation Formation, and Insertion Reactions in Titanium Tris(ketimide) Complexes |
| Authors of publication | Ferreira, M. João; Matos, Inês; Ascenso, José R.; Duarte, M. Teresa; Marques, M. Mercês; Wilson, Claire; Martins, Ana M. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 119 |
| a | 12.486 ± 0.005 Å |
| b | 13.689 ± 0.005 Å |
| c | 39.421 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 92.643 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 6731 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1905 |
| Residual factor for significantly intense reflections | 0.0945 |
| Weighted residual factors for significantly intense reflections | 0.2153 |
| Weighted residual factors for all reflections included in the refinement | 0.2476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178613 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/24. |
4072465.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072465.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072465.cif |
| 45833 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072465, 4072466 via cif-deposit CGI script. |
4072465.cif |
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