Crystallography Open Database

Information card for entry 7021781

Preview

Coordinates	7021781.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1a
Formula	C22 H30 Cl3 N O2 Pt S
Calculated formula	C22 H30 Cl3 N O2 Pt S
SMILES	[Pt]1(Oc2ccccc2C=[N]1c1c(cccc1C(C)C)C(C)C)(Cl)[S](=O)(C)C.ClCCl
Title of publication	Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(ii) complexes.
Authors of publication	Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Moss, John R.; Mapolie, Selwyn F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	31
Pages of publication	11163 - 11179
a	9.1719 ± 0.0003 Å
b	11.1215 ± 0.0002 Å
c	14.2096 ± 0.0004 Å
α	110.883 ± 0.002°
β	108.675 ± 0.001°
γ	91.334 ± 0.002°
Cell volume	1267.38 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0337
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0437
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7021781.cif
87686	2013-08-27	cif/ Adding structures of 7021781, 7021782, 7021783, 7021784, 7021785 via cif-deposit CGI script.	7021781.cif