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Information card for entry 7033619
Preview
| Coordinates | 7033619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [2,2,2-(H)2(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (3) |
|---|---|
| Formula | C36 H39 B8 P2 Rh S |
| Calculated formula | C36 H39 B8 P2 Rh S |
| SMILES | [RhH2]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]56[BH]781[BH]195[BH]5%10%11[BH]261[BH]14%10[B]237([P](c3ccccc3)(c3ccccc3)c3ccccc3)[BH]895[BH]%1112 |
| Title of publication | Rhodathiaborane reaction cycles driven by C2H4 and H2: synthesis and characterization of [(H)2(PPh3)RhSB8H7(PPh3)] and [(η(2)-C2H4)(PPh3)RhSB8H7(PPh3)]. |
| Authors of publication | Luaces, Susana; Macías, Ramón; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 11 |
| Pages of publication | 5041 - 5044 |
| a | 11.14 ± 0.002 Å |
| b | 11.537 ± 0.002 Å |
| c | 16.129 ± 0.003 Å |
| α | 84.356 ± 0.002° |
| β | 76.622 ± 0.002° |
| γ | 65.16 ± 0.002° |
| Cell volume | 1830.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180042 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36. |
7033619.cif |
| 133401 | 2015-03-06 | cif/ Updating files of 7033618, 7033619 Original log message: Adding full bibliography for 7033618--7033619.cif. |
7033619.cif |
| 129572 | 2015-01-13 | cif/ Adding structures of 7033618, 7033619 via cif-deposit CGI script. |
7033619.cif |
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