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Information card for entry 4070395
Preview
Coordinates | 4070395.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C95 H95 B Cl F24 N5 Ni2 |
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Calculated formula | C95 H95 B Cl F24 N5 Ni2 |
SMILES | [Ni]12([Ni]([Cl]1)(=C1N(c3c(cccc3C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)N2c1c(C)cc(cc1C)C)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.c1(cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F |
Title of publication | Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides |
Authors of publication | Laskowski, Carl A.; Hillhouse, Gregory L. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 20 |
Pages of publication | 6114 |
a | 18.107 ± 0.003 Å |
b | 12.354 ± 0.002 Å |
c | 41.418 ± 0.007 Å |
α | 90° |
β | 100.122 ± 0.003° |
γ | 90° |
Cell volume | 9121 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1173 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1562 |
Weighted residual factors for all reflections included in the refinement | 0.1687 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4070395.html
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