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Information card for entry 1560003
Preview
Coordinates | 1560003.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H44 Cl N4 P3 Ti |
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Calculated formula | C45 H44 Cl N4 P3 Ti |
SMILES | [Ti]12(Cl)(P(P(=[N]1c1ccccc1)(c1ccccc1)c1ccccc1)P(=[N]2c1ccccc1)(c1ccccc1)c1ccccc1)(=NC(C)(C)C)[n]1ccccc1 |
Title of publication | Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. |
Authors of publication | Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 253 - 269 |
a | 12.209 ± 0.003 Å |
b | 12.264 ± 0.003 Å |
c | 15.876 ± 0.004 Å |
α | 97.041 ± 0.006° |
β | 99.249 ± 0.006° |
γ | 98.343 ± 0.006° |
Cell volume | 2295.3 ± 1 Å3 |
Cell temperature | 115 K |
Ambient diffraction temperature | 115 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1959 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1543 |
Weighted residual factors for all reflections included in the refinement | 0.2049 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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