Crystallography Open Database

Information card for entry 4084733

Preview

Coordinates	4084733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.25 H61.5 B Cl0.5 F4 N4 O Os P2
Calculated formula	C41.25 H61.5 B Cl0.5 F4 N4 O Os P2
Title of publication	CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)
Authors of publication	Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5582
a	9.7134 ± 0.0013 Å
b	11.085 ± 0.0015 Å
c	21.093 ± 0.003 Å
α	82.108 ± 0.002°
β	84.676 ± 0.002°
γ	76.085 ± 0.002°
Cell volume	2179.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4084733.cif
126806	2014-11-11	cif/ Adding structures of 4084733, 4084734, 4084735, 4084736, 4084737 via cif-deposit CGI script.	4084733.cif