Crystallography Open Database

Information card for entry 1543135

Preview

Coordinates	1543135.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	IrbisPyr
Formula	C77.25 H54.5 Cl2.5 F6 Ir N4 P
Calculated formula	C77.25 H54.5 Cl2.5 F6 Ir N4 P
Title of publication	High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling.
Authors of publication	Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne
Journal of publication	The Analyst
Year of publication	2016
Journal volume	141
Journal issue	10
Pages of publication	3090 - 3097
a	13.1487 ± 0.0009 Å
b	23.0231 ± 0.0016 Å
c	23.3516 ± 0.0016 Å
α	67.2098 ± 0.0019°
β	75.538 ± 0.002°
γ	78.319 ± 0.002°
Cell volume	6266.3 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0807
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
183710 (current)	2016-06-18	cif/ Updating files of 1543134, 1543135 Original log message: Adding full bibliography for 1543134--1543135.cif.	1543135.cif
182167	2016-04-16	cif/ Adding structures of 1543134, 1543135 via cif-deposit CGI script.	1543135.cif