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Information card for entry 2237227
Preview
Coordinates | 2237227.cif |
---|---|
Structure factors | 2237227.hkl |
Original IUCr paper | HTML |
Chemical name | μ-Azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ-chlorido-bis[(2-chloro-3- dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)] chloroform monosolvate |
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Formula | C23 H27 Cl6 N5 Pd2 |
Calculated formula | C23 H27 Cl6 N5 Pd2 |
SMILES | [Pd]12(C(c3ccccc3)=C(Cl)C[N]2(C)C)[Cl][Pd]2([N]1=N#N)[N](CC(=C2c1ccccc1)Cl)(C)C.ClC(Cl)Cl |
Title of publication | μ-Azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ-chlorido-bis[(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)] chloroform monosolvate |
Authors of publication | Mafud, Ana C.; Oliviera, Milene A. R.; Gambardella, Maria T. P. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 1 |
Pages of publication | m15 |
a | 15.416 ± 0.003 Å |
b | 11.474 ± 0.003 Å |
c | 17.094 ± 0.004 Å |
α | 90° |
β | 97.14 ± 0.02° |
γ | 90° |
Cell volume | 3000.2 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.2376 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.1697 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181294 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/72. |
2237227.cif 2237227.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237227.cif 2237227.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237227.cif 2237227.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237227.cif 2237227.hkl |
75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237227.cif 2237227.hkl |
73456 | 2013-02-20 | cif/ Adding structures of 2237227 via cif-deposit CGI script. |
2237227.cif |
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Users of the data should acknowledge the original authors of the
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