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Information card for entry 4083920
Preview
Coordinates | 4083920.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H63 F Hf2 N2 O Si |
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Calculated formula | C46 H63 F Hf2 N2 O Si |
SMILES | [c]12([c]3([cH]4[c]5([cH]1[Hf]16782345([c]2([cH]1[c]6([cH]7[c]82C)C)C)(N[Hf]12345678([c]9([cH]4[c]3([c]2([cH]19)C)C)C)([c]1([c]5([cH]6[c]7([cH]81)C)C)C)C=C=C(C)[Si](C)(C)C)N=C=O)C)C)C.c1(ccccc1)F |
Title of publication | N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex |
Authors of publication | Semproni, Scott P.; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 14 |
Pages of publication | 3727 |
a | 11.9235 ± 0.0011 Å |
b | 12.8999 ± 0.0012 Å |
c | 15.759 ± 0.0014 Å |
α | 77.126 ± 0.002° |
β | 72.457 ± 0.002° |
γ | 73.501 ± 0.002° |
Cell volume | 2190.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0308 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
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/4083920.html
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Users of the data should acknowledge the original authors of the
structural data.