Crystallography Open Database

Information card for entry 7233081

Preview

Coordinates	7233081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.39 H40.78 Cl2.78 F10 Ir N8 P
Calculated formula	C38.39 H40.78 Cl2.78 F10 Ir N8 P
Title of publication	A deep-blue emitting charged bis-cyclometallated iridium(III) complex for light-emitting electrochemical cells
Authors of publication	Sebastian B. Meier; Wiebke Sarfert; Jose M. Junquera-Hernandez; Manuel Delgado; Daniel Tordera; Enrique Orti; Henk J. Bolink; Florian Kessler; Rosario Scopelliti; Michael Gratzel; M. Khaja Nazeeruddind; Etienne Baranoff
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	58 - 68
a	11.4876 ± 0.0011 Å
b	19.033 ± 0.003 Å
c	21.883 ± 0.003 Å
α	78.208 ± 0.012°
β	88.161 ± 0.01°
γ	79.175 ± 0.011°
Cell volume	4600.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0837
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
216979 (current)	2019-07-12	cif/ Adding structures of 7233081 via cif-deposit CGI script.	7233081.cif