Crystallography Open Database

Information card for entry 4327899

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Coordinates	4327899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 F2 Ir N2 O2
Calculated formula	C27 H21 F2 Ir N2 O2
Title of publication	Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes
Authors of publication	Etienne Baranoff; Basile F. E. Curchod; Julien Frey; Rosario Scopelliti; Florian Kessler; Ivano Tavernelli; Ursula Rothlisberger; Michael Grätzel; Md. Khaja Nazeeruddin
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	215 - 224
a	18.1455 ± 0.0016 Å
b	7.4799 ± 0.0011 Å
c	17.828 ± 0.004 Å
α	90°
β	111.102 ± 0.011°
γ	90°
Cell volume	2257.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0598
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.213
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327899.cif
76821	2013-03-21	cif/ Adding structures of 4327899 via cif-deposit CGI script.	4327899.cif