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Information card for entry 4108740
Preview
Coordinates | 4108740.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H26 Fe Ga I O2 |
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Calculated formula | C21 H26 Fe Ga I O2 |
SMILES | [Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Ga](c1c(cc(cc1C)C)C)I)(C#[O])C#[O] |
Title of publication | Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2 |
Authors of publication | Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16111 - 16124 |
a | 12.7935 ± 0.0006 Å |
b | 12.8963 ± 0.0008 Å |
c | 13.4322 ± 0.0008 Å |
α | 90° |
β | 98.653 ± 0.004° |
γ | 90° |
Cell volume | 2190.9 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2303 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for all reflections | 0.1439 |
Weighted residual factors for significantly intense reflections | 0.0456 |
Weighted residual factors for all reflections included in the refinement | 0.0456 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9873 |
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/4108740.html
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