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Information card for entry 7711892
Preview
| Coordinates | 7711892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H30 B F20 P W Zr |
|---|---|
| Calculated formula | C47 H30 B F20 P W Zr |
| SMILES | [WH2]12345678([cH]9[cH]8[cH]3[cH]1[cH]29)[cH]1[cH]4[cH]5[cH]6[c]71[Zr]12345678([P](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]7[cH]8[cH]61.Fc1c(F)c(F)c(c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)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 | 16.6914 ± 0.0018 Å |
| b | 17.9195 ± 0.0019 Å |
| c | 18.449 ± 0.002 Å |
| α | 98.483 ± 0.003° |
| β | 107.679 ± 0.003° |
| γ | 115.933 ± 0.003° |
| Cell volume | 4467.9 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Ka |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295359 (current) | 2024-10-08 | cif/7: Fixing Z values and formulae |
7711892.cif |
| 283285 | 2023-05-05 | cif/ Updating files of 7711889, 7711890, 7711891, 7711892, 7711893, 7711894 Original log message: Adding full bibliography for 7711889--7711894.cif. |
7711892.cif |
| 279809 | 2022-12-09 | cif/ Adding structures of 7711889, 7711890, 7711891, 7711892, 7711893, 7711894 via cif-deposit CGI script. |
7711892.cif |
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