Crystallography Open Database

Information card for entry 4124928

Preview

Coordinates	4124928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.5 H16 Cu F6 N6 S2
Calculated formula	C13.5 H16 Cu F6 N6 S2
Title of publication	Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.
Authors of publication	Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	9
Pages of publication	2937 - 2940
a	8.7222 ± 0.0002 Å
b	9.0474 ± 0.0003 Å
c	13.4007 ± 0.0004 Å
α	72.361 ± 0.002°
β	82.014 ± 0.002°
γ	89.406 ± 0.002°
Cell volume	997.44 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181435 (current)	2016-04-04	cif/ Updating files of 4124928, 4124929 Original log message: Adding full bibliography for 4124928--4124929.cif.	4124928.cif
177044	2016-02-28	cif/ Adding structures of 4124928 via cif-deposit CGI script.	4124928.cif