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Information card for entry 4082848
Preview
Coordinates | 4082848.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H50 N2 Zr |
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Calculated formula | C30 H50 N2 Zr |
SMILES | [Zr]123456789(C(=C1N(CC)CC)N(CC)CC)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C |
Title of publication | Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes |
Authors of publication | Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1774 |
a | 10.2288 ± 0.0007 Å |
b | 11.7739 ± 0.0007 Å |
c | 14.2956 ± 0.0008 Å |
α | 90.487 ± 0.005° |
β | 110.835 ± 0.006° |
γ | 114.542 ± 0.006° |
Cell volume | 1438.78 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0219 |
Residual factor for significantly intense reflections | 0.0218 |
Weighted residual factors for significantly intense reflections | 0.0548 |
Weighted residual factors for all reflections included in the refinement | 0.0549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4082848.html
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Users of the data should acknowledge the original authors of the
structural data.