Crystallography Open Database

Information card for entry 4348017

Preview

Coordinates	4348017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H44 F15 Ir N8
Calculated formula	C61 H44 F15 Ir N8
Title of publication	Near-Infrared Phosphorescent Iridium(III) Benzonorrole Complexes Possessing Pyridine-based Axial Ligands.
Authors of publication	Maurya, Yogesh Kumar; Ishikawa, Takahiro; Kawabe, Yasunori; Ishida, Masatoshi; Toganoh, Motoki; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	6223 - 6230
a	11.0104 ± 0.0017 Å
b	15.3207 ± 0.0016 Å
c	19.061 ± 0.003 Å
α	66.406 ± 0.006°
β	89.66 ± 0.008°
γ	70.254 ± 0.006°
Cell volume	2742 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
232645 (current)	2019-11-23	cif/ Adding structures of 4348017 via cif-deposit CGI script.	4348017.cif