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Information card for entry 4083746
Preview
Coordinates | 4083746.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H30 Si Zr |
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Calculated formula | C21 H30 Si Zr |
SMILES | [Zr]123456789%10%11([C]([Si](C)(C)C)#[C]1[CH]2=[CH]3C(C)(C)C)([cH]1[cH]7[cH]6[cH]5[cH]41)[cH]1[cH]8[cH]9[cH]%10[cH]%111 |
Title of publication | Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide |
Authors of publication | Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2014 |
Pages of publication | 140626102055005 |
a | 13.1441 ± 0.0001 Å |
b | 21.5891 ± 0.0003 Å |
c | 15.0145 ± 0.0002 Å |
α | 90° |
β | 92.653 ± 0.001° |
γ | 90° |
Cell volume | 4256.09 ± 0.09 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0516 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4083746.html
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Users of the data should acknowledge the original authors of the
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