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Information card for entry 7046822
Preview
Coordinates | 7046822.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H55 Cl N2 P2 Ti |
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Calculated formula | C39 H55 Cl N2 P2 Ti |
Title of publication | Reactions of (Ph)tBuP-P(SiMe<sub>3</sub>)Li·3THF with [(PNP)TiCl<sub>2</sub>] and [<sup>Me</sup>NacNacTiCl<sub>2</sub>·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η<sup>2</sup>-P-P(Ph)tBu}]. |
Authors of publication | Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 29 |
Pages of publication | 9733 - 9741 |
a | 17.6073 ± 0.0005 Å |
b | 16.8138 ± 0.0005 Å |
c | 13.4071 ± 0.0008 Å |
α | 90° |
β | 104.874 ± 0.003° |
γ | 90° |
Cell volume | 3836.1 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0584 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1324 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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