Crystallography Open Database

Information card for entry 8103170

Preview

Coordinates	8103170.cif

Structure parameters

Chemical name	(Acridine)dichloro(dimethyl sulfoxide-κ<i>S</i>)palladium(II) - dimethyl sulfoxide (1:2)
Formula	C19 H27 Cl2 N O3 Pd S3
Calculated formula	C19 H27 Cl2 N O3 Pd S3
SMILES	[Pd](Cl)(Cl)([S](=O)(C)C)[n]1c2ccccc2cc2ccccc12.S(=O)(C)C.S(=O)(C)C
Title of publication	Crystal structure of (acridine)dichloro(dimethyl sulfoxide-?S)-palladium(II) — dimethyl sulfoxide (1:2), PdCl2(C13H9N)(C2H6SO) · 2C2H6SO
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	323
a	9.6245 ± 0.0006 Å
b	10.9445 ± 0.0006 Å
c	12.7679 ± 0.0007 Å
α	101.015 ± 0.001°
β	111.51 ± 0.001°
γ	93.545 ± 0.001°
Cell volume	1215.32 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103170.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103170.cif
29169	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103170 via cif-deposit CGI script.	8103170.cif