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Information card for entry 7711893
Preview
Coordinates | 7711893.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H36 B F15 W Zr |
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Calculated formula | C46 H36 B F15 W Zr |
SMILES | [WH2]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)/C(=C(\[Zr]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81)C)C(C)(C)C.[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)C |
Title of publication | Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides. |
Authors of publication | Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
Journal volume | 52 |
Journal issue | 2 |
Pages of publication | 394 - 408 |
a | 9.48527 ± 0.00008 Å |
b | 22.02675 ± 0.00015 Å |
c | 10.72318 ± 0.0001 Å |
α | 90° |
β | 116.046 ± 0.0011° |
γ | 90° |
Cell volume | 2012.86 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0121 |
Residual factor for significantly intense reflections | 0.012 |
Weighted residual factors for significantly intense reflections | 0.0289 |
Weighted residual factors for all reflections included in the refinement | 0.029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/7711893.html
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Users of the data should acknowledge the original authors of the
structural data.