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Information card for entry 4087979
Preview
Coordinates | 4087979.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H62 Cl4 N4 O4 Ti2 |
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Calculated formula | C48 H62 Cl4 N4 O4 Ti2 |
SMILES | CC1(C2=NC(C)(C)CO2)C2=[N](C(C)(C)CO2)[Ti]23456([c]71[cH]2[cH]3[cH]4[cH]57)([Cl][Ti]12345([N]7C(C)(C)COC=7C(C)(C7=NC(C)(C)CO7)[c]71[cH]2[cH]3[cH]4[cH]57)([Cl]6)C)Cl.Cc1ccccc1.Cc1ccccc1 |
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 | 8.997 ± 0.004 Å |
b | 11.915 ± 0.005 Å |
c | 12.83 ± 0.006 Å |
α | 68.728 ± 0.006° |
β | 78.112 ± 0.007° |
γ | 87.634 ± 0.007° |
Cell volume | 1253.3 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.094 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1993 |
Weighted residual factors for all reflections included in the refinement | 0.2251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4087979.html
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Users of the data should acknowledge the original authors of the
structural data.