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Information card for entry 1557073
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1557073.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H32 Cl5 Li O4 Zr |
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Calculated formula | C16 Cl5 Li O4 Zr |
SMILES | [Zr]([Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cl)(Cl)(Cl)(Cl)[O]1CCCC1 |
Title of publication | Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf). |
Authors of publication | Polamo, Mika; Leskela, Markku |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1997 |
Journal volume | 51 |
Pages of publication | 44 - 48 |
a | 11.32 ± 0.006 Å |
b | 17.686 ± 0.007 Å |
c | 13.622 ± 0.009 Å |
α | 90° |
β | 90.37 ± 0.05° |
γ | 90° |
Cell volume | 2727 ± 3 Å3 |
Ambient diffraction temperature | 193 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1557073.html
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