Crystallography Open Database

Information card for entry 7021782

Preview

Coordinates	7021782.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1b
Formula	C21 H28 Cl N O2 Pt S
Calculated formula	C21 H28 Cl N O2 Pt S
SMILES	[Pt]1([N](=Cc2c(O1)cccc2)c1c(cccc1C(C)C)C(C)C)(Cl)[S](=O)(C)C
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	16.4013 ± 0.0018 Å
b	19.269 ± 0.002 Å
c	14.4597 ± 0.0016 Å
α	90°
β	91.062 ± 0.002°
γ	90°
Cell volume	4569 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0397
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7021782.cif
87686	2013-08-27	cif/ Adding structures of 7021781, 7021782, 7021783, 7021784, 7021785 via cif-deposit CGI script.	7021782.cif