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Information card for entry 4108745
Preview
| Coordinates | 4108745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H30 Ga2 I4 O4 Ru2 |
|---|---|
| Calculated formula | C24 H30 Ga2 I4 O4 Ru2 |
| SMILES | C([Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Ga]1(I)[I][Ga](I)([I]1)[Ru]1234(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C#[O])#[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 | 8.6253 ± 0.0002 Å |
| b | 9.8332 ± 0.0002 Å |
| c | 11.6061 ± 0.0002 Å |
| α | 73.355 ± 0.001° |
| β | 73.115 ± 0.001° |
| γ | 67.537 ± 0.001° |
| Cell volume | 853.15 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178833 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87. |
4108745.cif |
| 171422 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with the multiline value '.' from multiple entries. |
4108745.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108745.cif |
| 57113 | 2012-05-16 | cif/ Adding structures of 4108745 via cif-deposit CGI script. |
4108745.cif |
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