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Information card for entry 4068275
Preview
Coordinates | 4068275.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H64 Si4 Zr2 |
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Calculated formula | C52 H64 Si4 Zr2 |
SMILES | [Zr]123456789%10%11(c%12ccccc%12C(=[C]1=[C]2=C3[Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]4[cH]5[cH]6[cH]%101)[cH]1[cH]9[cH]8[cH]7[cH]%111.[Zr]123456789(c%10ccccc%10C(=C1[Si](C)(C)C)C#C[Si](C)(C)C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61 |
Title of publication | Versatile Behavior of Conjugated Diynes with Zirconocene Reactive Species |
Authors of publication | Bredeau, Stéphane; Ortega, Esteban; Delmas, Geneviève; Richard, Philippe; Fröhlich, Roland; Donnadieu, Bruno; Kehr, Gerald; Pirio, Nadine; Erker, Gerhard; Meunier, Philippe |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 181 |
a | 10.071 ± 0.001 Å |
b | 16.353 ± 0.001 Å |
c | 16.588 ± 0.001 Å |
α | 107.83 ± 0.01° |
β | 98.08 ± 0.01° |
γ | 95.16 ± 0.01° |
Cell volume | 2549.1 ± 0.4 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1052 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1312 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4068275.html
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Users of the data should acknowledge the original authors of the
structural data.