Crystallography Open Database

Information card for entry 1545046

Preview

Coordinates	1545046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H34 Cl5 Co F20 N4 O11 P3 Yb
Calculated formula	C57 H34 Cl5 Co F20 N4 O11 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	15.8901 ± 0.0004 Å
b	19.2041 ± 0.0005 Å
c	22.9477 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7002.6 ± 0.3 Å³
Cell temperature	276.86 ± 0.1 K
Ambient diffraction temperature	276.86 ± 0.1 K
Number of distinct elements	9
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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.	1545046.cif
190504	2017-01-14	cif/ Adding structures of 1545045, 1545046, 1545047 via cif-deposit CGI script.	1545046.cif