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Information card for entry 2240917
Preview
| Coordinates | 2240917.cif |
|---|---|
| Structure factors | 2240917.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV) |
|---|---|
| Formula | C38 H56 I2 N4 Pd |
| Calculated formula | C38 H56 I2 N4 Pd |
| SMILES | [Pd](=C1N([C@]2(C([C@@H](N1c1c(cc(cc1C)C)C)CC2)(C)C)C)C)(I)(I)=C1N([C@]2(C([C@@H](N1c1c(cc(cc1C)C)C)CC2)(C)C)C)C |
| Title of publication | Crystal structures of diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV) and dichlorido[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^](triphenylphosphane-κ<i>P</i>)palladium(IV) |
| Authors of publication | Rais, Eduard; Flörke, Ulrich; Wilhelm, René |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | 919 - 922 |
| a | 12.248 ± 0.0013 Å |
| b | 13.3786 ± 0.0014 Å |
| c | 23.465 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3845 ± 0.7 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240917.cif 2240917.hkl |
| 146546 | 2015-07-12 | cif/ hkl/ Adding structures of 2240917, 2240918 via cif-deposit CGI script. |
2240917.cif 2240917.hkl |
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