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Information card for entry 7711889
Preview
| Coordinates | 7711889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H21 B F20 W Zr |
|---|---|
| Calculated formula | C44 H21 B F20 W Zr |
| SMILES | [WH]123456789([H][Zr]%10%11%12%13%14%15%16%17([c]%181[cH]2[cH]3[cH]4[cH]5%18)([cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]%15[cH]%16[cH]%17[cH]%101)[cH]1[cH]9[cH]8[cH]7[cH]61.[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)c1c(c(c(c(c1F)F)F)F)F |
| 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 | 21.03531 ± 0.00017 Å |
| b | 20.26378 ± 0.00016 Å |
| c | 18.4541 ± 0.00017 Å |
| α | 90° |
| β | 93.2609 ± 0.0008° |
| γ | 90° |
| Cell volume | 7853.41 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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 |
|---|---|---|---|
| 283285 (current) | 2023-05-05 | cif/ Updating files of 7711889, 7711890, 7711891, 7711892, 7711893, 7711894 Original log message: Adding full bibliography for 7711889--7711894.cif. |
7711889.cif |
| 279809 | 2022-12-09 | cif/ Adding structures of 7711889, 7711890, 7711891, 7711892, 7711893, 7711894 via cif-deposit CGI script. |
7711889.cif |
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Users of the data should acknowledge the original authors of the
structural data.