Crystallography Open Database

Information card for entry 7233785

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Structure parameters

Formula	C48 H40 F6 N6 O2 Os P2
Calculated formula	C48 H40 F6 N6 O2 Os P2
SMILES	[Os]1234([P](Cc5[n]4c(ccc5)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)n1nc(C(F)(F)F)cc1c1[n]2c(ccc1)c1n3nc(c1)C(F)(F)F.O=C(OCC)C
Title of publication	Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication
Authors of publication	Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	6269 - 6282
a	12.6562 ± 0.0006 Å
b	14.183 ± 0.0007 Å
c	14.3426 ± 0.0007 Å
α	67.874 ± 0.001°
β	82.5019 ± 0.0011°
γ	67.827 ± 0.001°
Cell volume	2208.37 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	7233785.cif
218183	2019-09-11	cif/ Adding structures of 7233785 via cif-deposit CGI script.	7233785.cif