Crystallography Open Database

Information card for entry 7047159

Preview

Coordinates	7047159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H59 Cl2 Ir N6
Calculated formula	C67 H59 Cl2 Ir N6
Title of publication	High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.
Authors of publication	Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	35
Pages of publication	12243 - 12252
a	15.1336 ± 0.0016 Å
b	16.1293 ± 0.0017 Å
c	23.422 ± 0.002 Å
α	90°
β	107.389 ± 0.001°
γ	90°
Cell volume	5455.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0653
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
229949 (current)	2019-11-17	cif/ Updating files of 7047159, 7047160, 7047161 Original log message: Adding full bibliography for 7047159--7047161.cif.	7047159.cif
209271	2018-07-26	cif/ Adding structures of 7047159, 7047160, 7047161 via cif-deposit CGI script.	7047159.cif