Crystallography Open Database

Information card for entry 7233125

Preview

Coordinates	7233125.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Piq)2Ir{iPrN)2C(NPh2)}]
Formula	C56 H52 Ir N5
Calculated formula	C56 H52 Ir N5
Title of publication	Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours
Authors of publication	Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	677 - 689
a	14.992 ± 0.007 Å
b	29.691 ± 0.014 Å
c	10.583 ± 0.005 Å
α	90°
β	106.707 ± 0.007°
γ	90°
Cell volume	4512 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0494
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	0.859
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
217035 (current)	2019-07-15	cif/ Adding structures of 7233125 via cif-deposit CGI script.	7233125.cif