Crystallography Open Database

Information card for entry 4516190

Preview

Coordinates	4516190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H104 Ir2 N10 O7
Calculated formula	C98 H106 Ir2 N10 O7
Title of publication	Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.
Authors of publication	Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	3
Pages of publication	2673 - 2682
a	19.025 ± 0.011 Å
b	9.09 ± 0.005 Å
c	25.534 ± 0.013 Å
α	90°
β	96.237 ± 0.013°
γ	90°
Cell volume	4390 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
226176 (current)	2019-11-10	cif/ Adding structures of 4516190 via cif-deposit CGI script.	4516190.cif