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Information card for entry 4069107
Preview
Coordinates | 4069107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H59 Fe3 Li2 N4 P3 |
---|---|
Calculated formula | C42 H59 Fe3 Li2 N4 P3 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)P1P([Li]2([P]1([Li]1[N](C)(C)CC[N]1(C)C)[c]13[cH]4[Fe]9%10%11%12%13%141([cH]3[cH]9[cH]4%10)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[N](C)(C)CC[N]2(C)C)[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Formation of an Organometallic Phosphanediide via Main-Group Dehydrocoupling |
Authors of publication | Less, Robert J.; Naseri, Vesal; Wright, Dominic S. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 1995 |
a | 10.0819 ± 0.0002 Å |
b | 11.1426 ± 0.0002 Å |
c | 21.2193 ± 0.0006 Å |
α | 96.0097 ± 0.0009° |
β | 97.7334 ± 0.0009° |
γ | 111.648 ± 0.0013° |
Cell volume | 2164.42 ± 0.09 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0856 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.168 |
Weighted residual factors for all reflections included in the refinement | 0.1886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
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/4069107.html
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Users of the data should acknowledge the original authors of the
structural data.