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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) |
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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 |
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The link is: https://www.crystallography.net/2240917.html
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