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Information card for entry 2228851
Preview
Coordinates | 2228851.cif |
---|---|
Structure factors | 2228851.hkl |
Original IUCr paper | HTML |
Chemical name | Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate |
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Formula | C40 H42 N8 O2 Pd S4 |
Calculated formula | C40 H42 N8 O2 Pd S4 |
SMILES | N(C=O)(C)C.S1[Pd]2([N](=Cc3c[nH]c4c3cccc4)N=C1SCc1ccccc1)[N](=Cc1c[nH]c3c1cccc3)N=C(S2)SCc1ccccc1.N(C=O)(C)C |
Title of publication | Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate |
Authors of publication | Khaledi, Hamid; Mohd Ali, Hapipah |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m84 |
a | 10.509 ± 0.004 Å |
b | 20.32 ± 0.007 Å |
c | 10.925 ± 0.004 Å |
α | 90° |
β | 117.577 ± 0.005° |
γ | 90° |
Cell volume | 2067.9 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0443 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228851.html
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