Crystallography Open Database

Information card for entry 1567313

Preview

Coordinates	1567313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.5 H34 F10 Ir N4 O2 P
Calculated formula	C48.5 H34 F10 Ir N4 O2 P
Title of publication	Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges
Authors of publication	Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	30
Pages of publication	8804 - 8812
a	12.373 ± 0.006 Å
b	19.541 ± 0.009 Å
c	21.137 ± 0.01 Å
α	63.579 ± 0.005°
β	75.787 ± 0.005°
γ	71.958 ± 0.005°
Cell volume	4317 ± 4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
277089 (current)	2022-08-06	cif/ Updating files of 1567313, 1567314, 1567315 Original log message: Adding full bibliography for 1567313--1567315.cif.	1567313.cif
276805	2022-07-23	cif/ Adding structures of 1567313, 1567314, 1567315 via cif-deposit CGI script.	1567313.cif