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Information card for entry 4083371
Preview
Coordinates | 4083371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H40 Fe2 Ga N2 O6 S2 |
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Calculated formula | C42 H40 Fe2 Ga N2 O6 S2 |
SMILES | [Ga]12([S]3[Fe]4([Fe]3([S]14)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[N](=C1C(=[N]2c2c(cccc2C(C)C)C(C)C)c2cccc3cccc1c23)c1c(cccc1C(C)C)C(C)C |
Title of publication | Metal- and Ligand-Supported Reduction of the {Fe2S2} Cluster as a Path to Formation of Molecular Group 13 Element Complexes {Fe2S2M} (M = Al, Ga) |
Authors of publication | Ogienko, Mikhail A.; Pushkarevsky, Nikolay A.; Smolentsev, Anton I.; Nadolinny, Vladimir A.; Ketkov, Sergey Yu.; Konchenko, Sergey N. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 11 |
Pages of publication | 2713 |
a | 19.4275 ± 0.0007 Å |
b | 15.3275 ± 0.0006 Å |
c | 14.4963 ± 0.0005 Å |
α | 90° |
β | 105.639 ± 0.001° |
γ | 90° |
Cell volume | 4156.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4083371.html
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Users of the data should acknowledge the original authors of the
structural data.