Crystallography Open Database

Information card for entry 7233783

Preview

Coordinates	7233783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 F6 N5 O5 Os
Calculated formula	C19 H15 F6 N5 O5 Os
SMILES	[Os]12([OH2])(n3nc(C(F)(F)F)cc3c3[n]1c(ccc3)c1n2nc(c1)C(F)(F)F)(C#[O])C#[O].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	9.4606 ± 0.0008 Å
b	19.8658 ± 0.0017 Å
c	12.577 ± 0.0011 Å
α	90°
β	107.686 ± 0.002°
γ	90°
Cell volume	2252 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
218181 (current)	2019-09-11	cif/ Adding structures of 7233783 via cif-deposit CGI script.	7233783.cif