Crystallography Open Database

Information card for entry 7234141

Preview

Coordinates	7234141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H31.5 Cl4.5 F6 Ir N5
Calculated formula	C45.5 H31.5 Cl4.5 F6 Ir N5
Title of publication	Heteroleptic Ir(iii) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs
Authors of publication	Bihai Tong; Hsiao-Yun Ku; I.-Jen Chen; Yun Chi; Hao-Che Kao; Chia-Chi Yeh; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	3460 - 3471
a	18.53 ± 0.0003 Å
b	12.8977 ± 0.0002 Å
c	20.1368 ± 0.0004 Å
α	90°
β	112.778 ± 0.0009°
γ	90°
Cell volume	4437.26 ± 0.14 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	0.0727
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
218821 (current)	2019-09-25	cif/ Adding structures of 7234140, 7234141 via cif-deposit CGI script.	7234141.cif