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Information card for entry 4065042
Preview
| Coordinates | 4065042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H35 B9 P Rh S2 |
|---|---|
| Calculated formula | C24 H35 B9 P Rh S2 |
| SMILES | [Rh]12345([S]=P(c6ccccc6)([C]678[BH]9%10%11[BH]%12%13%14[BH]%1569[BH]69%12[BH]%12%16%13[BH]%13%10%14[BH]%10%16([BH]6%12([H]%10)[C]8%159S1)[BH]7%11%13)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes |
| Authors of publication | Yao, Zi-Jian; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 20 |
| Pages of publication | 5365 |
| a | 11.6277 ± 0.0008 Å |
| b | 11.8557 ± 0.0015 Å |
| c | 12.0237 ± 0.0008 Å |
| α | 99.311 ± 0.001° |
| β | 112.35 ± 0.001° |
| γ | 99.731 ± 0.001° |
| Cell volume | 1463.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0358 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178503 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/50. |
4065042.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065042.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065042.cif |
| 33140 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065038, 4065039, 4065040, 4065041, 4065042 via cif-deposit CGI script. |
4065042.cif |
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Users of the data should acknowledge the original authors of the
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