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Information card for entry 7708643
Preview
| Coordinates | 7708643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,1-bis(η5-cyclopentadienyl)-cis-2,5-bis(trimethylsilyl)-1-zirconacyclopent-3-ene |
|---|---|
| Formula | C46 H78 Si4 Zr2 |
| Calculated formula | C23 H29.5 Si2 Zr |
| Title of publication | Reactions of Five-Membered Zirconacycloalkynes And Zirconacycloallenes with Cp2Zr(H)Cl; Formal Hydrogenation by Metal Hydrides |
| Authors of publication | Suzuki, Noriyuki; Ban, Sayaka; Mochizuki, Ayari; Ito, Saki |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 13.37714 ± 0.00016 Å |
| b | 15.7203 ± 0.0002 Å |
| c | 23.1966 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4878.07 ± 0.12 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 57 |
| Hermann-Mauguin space group symbol | P b c m |
| Hall space group symbol | -P 2c 2b |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270128 (current) | 2021-10-29 | cif/ Adding structures of 7708642, 7708643 via cif-deposit CGI script. |
7708643.cif |
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