Crystallography Open Database

Information card for entry 4517524

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Structure parameters

Formula	C17 H16 F3 N4 O2 Pt0.5
Calculated formula	C17 H16 F3 N4 O2 Pt0.5
Title of publication	Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.
Authors of publication	Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
a	13.6532 ± 0.0004 Å
b	7.216 ± 0.0002 Å
c	18.2271 ± 0.0005 Å
α	90°
β	101.211 ± 0.0009°
γ	90°
Cell volume	1761.49 ± 0.09 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	0.0292
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.0405
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4517524.cif
249826	2020-03-29	cif/ Adding structures of 4517524, 4517525, 4517526 via cif-deposit CGI script.	4517524.cif