Crystallography Open Database

Information card for entry 7037344

Preview

Coordinates	7037344.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ir2
Formula	C48 H50 F8 Ir N4 O5 P
Calculated formula	C48 H50 F8 Ir N4 O5 P
Title of publication	Photostable ester-substituted bis-cyclometalated cationic iridium(iii) complexes for continuous monitoring of oxygen.
Authors of publication	Liu, Chun; Yu, Hongcui; Xing, Yang; Gao, Zhanming; Jin, Zilin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	734 - 741
a	15.1089 ± 0.0004 Å
b	11.0424 ± 0.0003 Å
c	15.6517 ± 0.0004 Å
α	90°
β	110.411 ± 0.001°
γ	90°
Cell volume	2447.36 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
175982 (current)	2016-02-05	cif/ Updating files of 7037344 Original log message: Adding full bibliography for 7037344.cif.	7037344.cif
170434	2015-11-21	cif/ Adding structures of 7037344 via cif-deposit CGI script.	7037344.cif