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Information card for entry 4088387
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4088387.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H51 Li N3 O P |
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Calculated formula | C33 H51 Li N3 O P |
SMILES | C12N(C=CN1c1cccc3C=P(C(C)(C)C)(C(C)(C)C)[Li]=2([n]13)[O](CC)CC)c1c(cccc1C(C)C)C(C)C |
Title of publication | Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands |
Authors of publication | Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 6 |
Pages of publication | 903 |
a | 8.2117 ± 0.0006 Å |
b | 12.9279 ± 0.001 Å |
c | 18.0555 ± 0.0015 Å |
α | 81.097 ± 0.002° |
β | 78.611 ± 0.002° |
γ | 76.631 ± 0.002° |
Cell volume | 1816.1 ± 0.2 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 | 0.0932 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1266 |
Weighted residual factors for all reflections included in the refinement | 0.1384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4088387.html
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Users of the data should acknowledge the original authors of the
structural data.