Crystallography Open Database

Information card for entry 7234485

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Structure parameters

Formula	C38 H34 Cl4 F6 N6 Pt
Calculated formula	C38 H34 Cl4 F6 N6 Pt
SMILES	[Pt]12([n]3c(c4[n]2ccc(c4)c2c(cc(cc2C)C)C)cc(cc3)c2c(cc(cc2C)C)C)n2nc(C(F)(F)F)cc2c2n1nc(c2)C(F)(F)F.C(Cl)Cl.C(Cl)Cl
Title of publication	Efficient Pt(ii) emitters assembled from neutral bipyridine and dianionic bipyrazolate: designs, photophysical characterization and the fabrication of non-doped OLEDs
Authors of publication	Che-Wei Hsu; Yongbiao Zhao; Hsiu-Hsuan Yeh; Chin-Wei Lu; Cong Fan; Yue Hu; Neil Robertson; Gene-Hsiang Lee; Xiao Wei Sun; Yun Chi
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	10837 - 10847
a	11.3477 ± 0.0011 Å
b	17.9505 ± 0.0016 Å
c	19.3631 ± 0.0018 Å
α	90°
β	95.698 ± 0.002°
γ	90°
Cell volume	3924.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0609
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7234485.cif
219192	2019-10-09	cif/ Adding structures of 7234485, 7234486 via cif-deposit CGI script.	7234485.cif