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Information card for entry 4072721
Preview
| Coordinates | 4072721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H36 B9 Ir |
|---|---|
| Calculated formula | C24 H36 B9 Ir |
| SMILES | [Ir]123456([C]78([BH]9%102[BH]2%117[BH]7%128[C]81([BH]1%133[BH]349[BH]4%102[BH]2%117[BH]%1281[BH]%13342)c1ccc(cc1)C)c1ccc(cc1)C)[CH]1=[CH]5C6CCCCC1 |
| Title of publication | Synthesis of 16-Electron (η3-Cyclooctenyl)metallacarboranes of Rhodium(III) and Iridium(III) with the New Sterically Demanding [(4‘-MeC6H4)2C2B9H9]2-Carborane Ligand. Molecular Structures of [3-{(1−3-η3)-C8H13}-1,2-(4‘-MeC6H4)2-3,1,2-pseudocloso-MC2B9H9] (M = Rh, Ir) and [(η6-MeC6H4)Rh(C2B9H9C6H4Me)Rh(η4-C8H12)]2, a Dimeric Byproduct Containing Distorted 13-Vertex {4,9,1,10-Rh2C2B9} Cluster Units |
| Authors of publication | Alekseev, Leonid S.; Dolgushin, Fedor M.; Korlyukov, Alexander A.; Godovikov, Ivan A.; Vorontsov, Evgenii V.; Chizhevsky, Igor T. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 15 |
| Pages of publication | 3868 |
| a | 15.7173 ± 0.0007 Å |
| b | 17.0705 ± 0.0008 Å |
| c | 18.667 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5008.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178616 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/27. |
4072721.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072721.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072721.cif |
| 45968 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072720, 4072721 via cif-deposit CGI script. |
4072721.cif |
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