Crystallography Open Database

Information card for entry 4075061

Preview

Coordinates	4075061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N2 S2
Calculated formula	C21 H21 N2 S2
SMILES	C(=S)(Nc1ccccc1)c1cc(cc(c1)C)C(=S)Nc1ccccc1
Title of publication	Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene
Authors of publication	Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	4026
a	11.239 ± 0.012 Å
b	17.766 ± 0.017 Å
c	9.63 ± 0.01 Å
α	90°
β	113.112 ± 0.013°
γ	90°
Cell volume	1769 ± 3 Å³
Cell temperature	113.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075061.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075061.cif
49040	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075061, 4075062, 4075063, 4075064 via cif-deposit CGI script.	4075061.cif