Crystallography Open Database

Information card for entry 7234870

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Coordinates	7234870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H0.25 N6 O2 Pt2 S2
Calculated formula	C46 H30 N6 O2 Pt2 S2
SMILES	[Pt]12(c3ccccc3c3[n]2ccc2c3cccc2)Sc2oc(n[n]2[Pt]2(c3ccccc3c3[n]2ccc2c3cccc2)Sc2oc(n[n]12)c1ccccc1)c1ccccc1
Title of publication	Dinuclear platinum complexes containing aryl-isoquinoline and oxadiazole-thiol with an efficiency of over 8.8%: in-depth investigation of the relationship between their molecular structure and near-infrared electroluminescent properties in PLEDs
Authors of publication	Wenjing Xiong; Fanyuan Meng; Hua Tan; Yafei Wang; Pu Wang; Youming Zhang; Qiang Tao; Shijian Su; Weiguo Zhu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	6007 - 6015
a	12.9601 ± 0.0006 Å
b	16.5337 ± 0.0008 Å
c	18.6183 ± 0.001 Å
α	90°
β	105.737 ± 0.005°
γ	90°
Cell volume	3840 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation probe	x-ray
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
220540 (current)	2019-10-30	cif/ Adding structures of 7234870 via cif-deposit CGI script.	7234870.cif