Crystallography Open Database

Information card for entry 1570301

Preview

Coordinates	1570301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H50 Ir2 N6 O2
Calculated formula	C64 H50 Ir2 N6 O2
Title of publication	Thermally activated delayed fluorescence in a deep red dinuclear iridium(iii) complex: a hidden mechanism for short luminescence lifetimes.
Authors of publication	Pander, Piotr; Zaytsev, Andrey V.; Sil, Amit; Baryshnikov, Glib V.; Siddique, Farhan; Williams, J. A. Gareth; Dias, Fernando B.; Kozhevnikov, Valery N.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	47
Pages of publication	13934 - 13943
a	30.2193 ± 0.0013 Å
b	12.6557 ± 0.0005 Å
c	14.4652 ± 0.0006 Å
α	90°
β	115.12 ± 0.0014°
γ	90°
Cell volume	5008.9 ± 0.4 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 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	0.0765
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
288747 (current)	2024-01-06	cif/ Updating files of 1570301 Original log message: Adding full bibliography for 1570301.cif.	1570301.cif
287594	2023-11-15	cif/ Adding structures of 1570301 via cif-deposit CGI script.	1570301.cif