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Information card for entry 7003119
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Coordinates | 7003119.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H36 Cu I N4 |
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Calculated formula | C20 H36 Cu I N4 |
SMILES | [I-].[Cu](C#[N]C(C)(C)C)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C |
Title of publication | Structural and spectroscopic studies of some copper(i) halide tert-butyl isocyanide adducts |
Authors of publication | Bowmaker, Graham A.; Hanna, John V.; Hahn, F. Ekkehardt; Lipton, Andrew S.; Oldham, Carolyn E.; Skelton, Brian W.; Smith, Mark E.; White, Allan H. |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 13 |
Pages of publication | 1710 - 1720 |
a | 15.578 ± 0.001 Å |
b | 15.578 ± 0.001 Å |
c | 17.631 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4278.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 119 |
Hermann-Mauguin space group symbol | I -4 m 2 |
Hall space group symbol | I -4 -2 |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for all reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections | 1.269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/7003119.html
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Users of the data should acknowledge the original authors of the
structural data.