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Information card for entry 1554742
Preview
Coordinates | 1554742.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H26 Cl2 Hf |
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Calculated formula | C31 H26 Cl2 Hf |
SMILES | [c]12([c]3([c]4([c]5([Hf]134(C1c3ccc4Cc6ccc7Cc8ccc1c1c3c4c6c7c81)(Cl)([c]25C)Cl)C)C)C)C |
Title of publication | Synthesis of a sumanenyl hafnocene complex |
Authors of publication | Amaya, Toru; Katoh, Shun; Moriuchi, Toshiyuki; Hirao, Toshikazu |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 7 |
Pages of publication | 1032 |
a | 8.1722 ± 0.0005 Å |
b | 16.0848 ± 0.0007 Å |
c | 9.1272 ± 0.0006 Å |
α | 90° |
β | 95.0903 ± 0.0016° |
γ | 90° |
Cell volume | 1195.02 ± 0.12 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
Diffraction radiation wavelength | 0.71075 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/1554742.html
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