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Information card for entry 7030904
Preview
Coordinates | 7030904.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H40 Cl N3 P2 Ti |
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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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