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Information card for entry 7030904
Preview
| Coordinates | 7030904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H40 Cl N3 P2 Ti |
|---|---|
| Calculated formula | C41 H40 Cl N3 P2 Ti |
| SMILES | N(C(C)(C)C)=[Ti]1([N](c2ccccc2)=P(c2ccccc2)(c2ccccc2)C=P(c2ccccc2)(c2ccccc2)N1c1ccccc1)Cl |
| Title of publication | Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity. |
| Authors of publication | Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 40 |
| Pages of publication | 15098 - 15110 |
| a | 20.8571 ± 0.0005 Å |
| b | 9.9387 ± 0.0002 Å |
| c | 17.6389 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3656.41 ± 0.14 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180015 (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 7/03/09. |
7030904.cif |
| 124848 | 2014-10-06 | cif/ Updating files of 7030902, 7030903, 7030904, 7030905 Original log message: Adding full bibliography for 7030902--7030905.cif. |
7030904.cif |
| 113779 | 2014-05-14 | cif/ Adding structures of 7030902, 7030903, 7030904, 7030905 via cif-deposit CGI script. |
7030904.cif |
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