Crystallography Open Database

Information card for entry 7058141

Preview

Coordinates	7058141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H35 Ir N5 O2 P S2
Calculated formula	C54 H35 Ir N5 O2 P S2
Title of publication	Synthesis, photophysical and electroluminescent properties of iridium(iii) complexes with 2-aryl-thiazole and oxadiazol-substituted amide derivative ligands
Authors of publication	Yang, Jiali; Zhang, Fuli; Dong, Xiaobin; Yu, Bo; Zhang, Mengyang; Wei, Donghui; Li, Zhongyi; Wei, Bin; Zhang, Chi; Li, Suzhi; Cao, Guangxiu; Zhai, Bin
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	10
Pages of publication	4272
a	13.717 ± 0.003 Å
b	16.311 ± 0.003 Å
c	22.752 ± 0.005 Å
α	90°
β	90.71 ± 0.03°
γ	90°
Cell volume	5090.1 ± 1.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	7
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	0.0479
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
224693 (current)	2019-11-08	cif/ Updating files of 7058140, 7058141 Original log message: Adding full bibliography for 7058140--7058141.cif.	7058141.cif
213496	2019-02-05	cif/ Adding structures of 7058140, 7058141 via cif-deposit CGI script.	7058141.cif