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Information card for entry 4065038
Preview
| Coordinates | 4065038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H21 B10 P S |
|---|---|
| Calculated formula | C14 H21 B10 P S |
| SMILES | P(=S)([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%13[BH]%145([BH]568[BH]691[BH]%1023[BH]%12%1456)[CH]47%11%13)(c1ccccc1)c1ccccc1 |
| 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 | 30.126 ± 0.011 Å |
| b | 9.913 ± 0.004 Å |
| c | 14.001 ± 0.005 Å |
| α | 90° |
| β | 111.102 ± 0.005° |
| γ | 90° |
| Cell volume | 3901 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| 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. |
4065038.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065038.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065038.cif |
| 33140 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065038, 4065039, 4065040, 4065041, 4065042 via cif-deposit CGI script. |
4065038.cif |
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Users of the data should acknowledge the original authors of the
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