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Information card for entry 4073497
Preview
| Coordinates | 4073497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H50 B10 Li O4 Rh S3 |
|---|---|
| Calculated formula | C26 H46 B10 Li O4 Rh S3 |
| SMILES | [Rh]12345(S[C]6789[C]%10%11%12(S1)[BH]1%136[BH]6%147[BH]7%158[BH]89%10[BH]9%10%15[BH]%15%147[BH]7%136[BH]6%111[BH]%1289[BH]%10%1576)(Sc1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Li]([OH2])([OH2])([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Trinuclear Rh2M Complexes (M = Ni, Pd) Bridged by Butyl Selenolato and Carborane Diselenolato Ligands |
| Authors of publication | Cai, Shuyi; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 5442 |
| a | 12.094 ± 0.002 Å |
| b | 12.297 ± 0.002 Å |
| c | 14.618 ± 0.003 Å |
| α | 88.707 ± 0.003° |
| β | 73.95 ± 0.003° |
| γ | 79.967 ± 0.003° |
| Cell volume | 2056.5 ± 0.6 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 | 0.1556 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.197 |
| Weighted residual factors for all reflections included in the refinement | 0.2165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.818 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178623 (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 4/07/34. |
4073497.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073497.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073497.cif |
| 46378 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073497 via cif-deposit CGI script. |
4073497.cif |
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Users of the data should acknowledge the original authors of the
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