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Information card for entry 4345157
Preview
| Coordinates | 4345157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22.33333 H38.66667 Ag B10 F3 N2 O3.33333 P2 S3 |
|---|---|
| Calculated formula | C22.3333 H38.6667 Ag B10 F3 N2 O3.33333 P2 S3 |
| SMILES | O1CCCC1.[Ag]123([P@](Sc4[n]3cccc4)([C]3456[C]789([P@]1(Sc1[n]2cccc1)C(C)(C)C)[BH]12%10[BH]%11%12%13[BH]371[BH]15%13[BH]35%11[BH]7%11%13[BH]48([BH]9%10%11[BH]2%1237)[BH]615%13)C(C)(C)C)OS(=O)(=O)C(F)(F)F.[Ag]123([P@@](Sc4[n]3cccc4)([C]3456[C]789([P@@]1(Sc1[n]2cccc1)C(C)(C)C)[BH]12%10[BH]%11%12%13[BH]371[BH]15%13[BH]35%11[BH]7%11%13[BH]48([BH]9%10%11[BH]2%1237)[BH]615%13)C(C)(C)C)OS(=O)(=O)C(F)(F)F |
| Title of publication | C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry. |
| Authors of publication | Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 292 - 304 |
| a | 14.7767 ± 0.0006 Å |
| b | 14.8998 ± 0.0004 Å |
| c | 23.7871 ± 0.0006 Å |
| α | 83.519 ± 0.002° |
| β | 89.019 ± 0.003° |
| γ | 89.103 ± 0.003° |
| Cell volume | 5202.5 ± 0.3 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1134 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.784 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252331 (current) | 2020-05-25 | cif/4 Fixing some Z values and formulae |
4345157.cif |
| 191273 | 2017-02-04 | cif/ Adding structures of 4345150, 4345151, 4345152, 4345153, 4345154, 4345155, 4345156, 4345157 via cif-deposit CGI script. |
4345157.cif |
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