Crystallography Open Database

Information card for entry 7236958

Preview

Coordinates	7236958.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4-MeOpfupy)2Ir(acac)
Formula	C33 H27 Ir N2 O6
Calculated formula	C33 H27 Ir N2 O6
Title of publication	Methoxyl modification in furo[3,2-c]pyridine-based iridium complexes towards highly efficient green- and orange-emitting electrophosphorescent devices
Authors of publication	Yan, Zhimin; Wang, Yanping; Ding, Junqiao; Wang, Yue; Wang, Lixiang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	46
Pages of publication	12221
a	14.3281 ± 0.0009 Å
b	19.2115 ± 0.0012 Å
c	10.7242 ± 0.0007 Å
α	90°
β	111.511 ± 0.0008°
γ	90°
Cell volume	2746.4 ± 0.3 Å³
Cell temperature	186 ± 2 K
Ambient diffraction temperature	186 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
236669 (current)	2019-11-24	cif/ Adding structures of 7236958 via cif-deposit CGI script.	7236958.cif