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Information card for entry 2018154
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Coordinates | 2018154.cif |
---|---|
Structure factors | 2018154.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[4-fluoro-<i>N</i>-({2-[<i>N</i>-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^<i>N</i>,<i>N</i>']copper(I) |
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Formula | C29 H31 Cu F2 N4 |
Calculated formula | C29 H31 Cu F2 N4 |
SMILES | [Cu]1(N(C=C2C=CC=C2C=[N]1c1ccc(F)cc1)c1ccc(F)cc1)(C#[N]C(C)(C)C)C#[N]C(C)(C)C |
Title of publication | Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[4-fluoro-<i>N</i>-({2-[<i>N</i>-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^<i>N</i>,<i>N</i>']copper(I) |
Authors of publication | Willcocks, Alexander M.; Johnson, Andrew L.; Raithby, Paul R.; Schiffers, Stefanie; Warren, John E. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m215 - m217 |
a | 13.943 ± 0.004 Å |
b | 9.24 ± 0.002 Å |
c | 21.642 ± 0.005 Å |
α | 90° |
β | 97.462 ± 0.005° |
γ | 90° |
Cell volume | 2764.6 ± 1.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for all reflections included in the refinement | 0.1648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation wavelength | 0.6939 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018154.html
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