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Information card for entry 2019813
Preview
Coordinates | 2019813.cif |
---|---|
Structure factors | 2019813.hkl |
Original IUCr paper | HTML |
Chemical name | (μ-<i>N</i>,<i>N</i>'-Dibenzyldithiooxamidato-κ<i>N</i>,<i>S</i>:<i>N</i>',<i>S</i>')bis[(η^3^-crotyl)palladium(II)] |
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Formula | C24 H28 N2 Pd2 S2 |
Calculated formula | C24 H28 N2 Pd2 S2 |
SMILES | S1C2C(S[Pd]34(C[CH]3=[CH]4C)[N]=2Cc2ccccc2)=[N]([Pd]231[CH](=[CH]2C)C3)Cc1ccccc1 |
Title of publication | Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)] |
Authors of publication | Bruno, Giuseppe; Lanza, Santo; Giannetto, Antonino; Sacca, Alessandro; Amiri Rudbari, Hadi |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 2 |
Pages of publication | m40 |
a | 18.324 ± 0.0002 Å |
b | 7.166 ± 0.0001 Å |
c | 19.508 ± 0.0002 Å |
α | 90° |
β | 109.341 ± 0.004° |
γ | 90° |
Cell volume | 2417.03 ± 0.08 Å3 |
Cell temperature | 298 ± 1 K |
Ambient diffraction temperature | 298 ± 1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019813.cif 2019813.hkl |
180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019813.cif 2019813.hkl |
176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019813.cif 2019813.hkl |
130198 | 2015-01-29 | cif/ hkl/ Adding structures of 2019813 via cif-deposit CGI script. |
2019813.cif 2019813.hkl |
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Users of the data should acknowledge the original authors of the
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