Crystallography Open Database

Information card for entry 1545045

Preview

Coordinates	1545045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H23 Co F28 N4 O9 P3 Yb
Calculated formula	C55 H23 Co F28 N4 O9 P3 Yb
Title of publication	Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields
Authors of publication	Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	2702
a	24.588 ± 0.005 Å
b	10.147 ± 0.002 Å
c	24.582 ± 0.005 Å
α	90°
β	92.11 ± 0.03°
γ	90°
Cell volume	6129 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
195015 (current)	2017-04-05	cif/ Updating files of 1545045, 1545046, 1545047 Original log message: Adding full bibliography for 1545045--1545047.cif.	1545045.cif
190504	2017-01-14	cif/ Adding structures of 1545045, 1545046, 1545047 via cif-deposit CGI script.	1545045.cif