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Information card for entry 4072245
Preview
| Coordinates | 4072245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H68 B20 Cl4 N4 Rh2 S4 |
|---|---|
| Calculated formula | C36 H68 B20 Cl4 N4 Rh2 S4 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]27%10[BH]9%13%15[BH]%16%1712)[C]14%12%14[C]368%11S[Rh]2345(=C6N(C=CN6C)CCN6C(N(C=C6)C)=[Rh]6789%10([c]%11([c]%10([c]9([c]8([c]6%11C)C)C)C)C)S[C]689%10[BH]%11%12%13[BH]%14%156[BH]6%168[BH]8%179[BH]9%18%19[BH]%20%11([BH]%11%12%14[BH]%12%156[BH]%16%17%18[BH]%19%20%11%12)[C]%10%1389S7)([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)S1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands |
| Authors of publication | Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 6035 |
| a | 11.104 ± 0.008 Å |
| b | 11.219 ± 0.008 Å |
| c | 14.042 ± 0.01 Å |
| α | 71.071 ± 0.009° |
| β | 78.586 ± 0.009° |
| γ | 62.268 ± 0.008° |
| Cell volume | 1462.3 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1561 |
| Weighted residual factors for all reflections included in the refinement | 0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178611 (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 4/07/22. |
4072245.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072245.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072245.cif |
| 44303 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072243, 4072244, 4072245 via cif-deposit CGI script. |
4072245.cif |
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Users of the data should acknowledge the original authors of the
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