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Information card for entry 4114401
Preview
Coordinates | 4114401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H41 N O Zr |
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Calculated formula | C36 H41 N O Zr |
SMILES | [Zr]123456789%10(OCC(N1c1c(cccc1C)C)c1ccccc1)[cH]1[cH]2[c]23CCCC[c]42[c]51CC[c]1%10[c]29[c]8([cH]7[cH]61)CCCC2 |
Title of publication | Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes |
Authors of publication | Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14276 - 14277 |
a | 8.599 ± 0.013 Å |
b | 40.63 ± 0.04 Å |
c | 8.717 ± 0.014 Å |
α | 90° |
β | 108.85 ± 0.04° |
γ | 90° |
Cell volume | 2882 ± 7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.345 |
Diffraction radiation wavelength | 0.8856 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4114401.html
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