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Information card for entry 4087980
Preview
Coordinates | 4087980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H45 N4 O2 Zr |
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Calculated formula | C23 H41 N5 O2 Zr |
SMILES | [Zr]12345([cH]6[cH]1[cH]2[c]3([cH]46)C(C1=[N]5C(CO1)(C)C)(C)C1=NC(CO1)(C)C)(N(C)C)(N(C)C)N(C)C |
Title of publication | Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations |
Authors of publication | Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 23 |
Pages of publication | 5566 |
a | 9.1768 ± 0.0007 Å |
b | 10.8157 ± 0.0008 Å |
c | 13.5557 ± 0.001 Å |
α | 97.781 ± 0.001° |
β | 102.435 ± 0.001° |
γ | 93.238 ± 0.001° |
Cell volume | 1296.68 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0746 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4087980.html
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Users of the data should acknowledge the original authors of the
structural data.