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Information card for entry 4078367
Preview
Coordinates | 4078367.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H72 Li4 N12 |
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Calculated formula | C48 H72 Li4 N12 |
SMILES | [Li]123[N]4(=C(c5ccccc5)N(C)CC[N]1(C)C)[Li]15[N]67=C(c8ccccc8)N(C)CC[N]([Li]6([N]62[Li]47[N](CCN(C=6c2ccccc2)C)(C)C)[N]31=C(c1ccccc1)N(C)CC[N]5(C)C)(C)C |
Title of publication | Inhibition of the Cyclotrimerization of Benzonitrile and the Likely Mechanism of the Cyclotrimerization Process: Structure of a New Tetrameric α-Amino Lithium Imide DemonstratingIntramolecular Stabilization of the Metal Centers |
Authors of publication | Davies, Robert P.; Raithby, Paul R.; Shields, Gregory P.; Snaith, Ronald; Wheatley, Andrew E. H. |
Journal of publication | Organometallics |
Year of publication | 1997 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 2223 |
a | 11.138 ± 0.01 Å |
b | 11.151 ± 0.011 Å |
c | 22.143 ± 0.025 Å |
α | 90.56 ± 0.09° |
β | 100.55 ± 0.08° |
γ | 112.24 ± 0.08° |
Cell volume | 2493 ± 5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0914 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for all reflections | 0.175 |
Weighted residual factors for significantly intense reflections | 0.15 |
Goodness-of-fit parameter for all reflections | 1.035 |
Goodness-of-fit parameter for significantly intense reflections | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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