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Information card for entry 4111721
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4111721.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H54 Cl2 N2 Zr2 |
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Calculated formula | C36 H54 Cl2 N2 Zr2 |
SMILES | [Zr]12345678(Cl)(NN[Zr]9%10%11%12%13%14%15%16(Cl)([c]%17([cH]9[c]%10([c]%11([c]%12%17C)C)C)C)[c]9([c]%16([c]%15([c]%14([cH]%139)C)C)C)C)([c]9([cH]1[c]2([c]3([c]49C)C)C)C)[c]1([c]8([c]7([c]6([cH]51)C)C)C)C |
Title of publication | Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine |
Authors of publication | Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 7901 - 7911 |
a | 22.7229 ± 0.0013 Å |
b | 9.4395 ± 0.0005 Å |
c | 17.1227 ± 0.001 Å |
α | 90° |
β | 107.766 ± 0.003° |
γ | 90° |
Cell volume | 3497.5 ± 0.3 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 | 0.0415 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4111721.html
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Users of the data should acknowledge the original authors of the
structural data.