Crystallography Open Database

Information card for entry 7100244

Preview

Coordinates	7100244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 F7 Ir N6
Calculated formula	C30 H16 F7 Ir N6
SMILES	[Ir]123(n4nc(nc4c4[n]1cccc4)C(F)(F)F)([n]1c(c4c3cc(cc4F)F)cccc1)[n]1ccccc1c1c(cc(cc21)F)F
Title of publication	Blue-to-green electrophosphorescence of iridium-based cyclometallated materials
Authors of publication	Andy Holmes; Richard M. W. Friend; Anna Hayer; K. Anna; Chris S.K. Mak; Sofia I. Pascu; S.E. Watkins
Journal of publication	Chemical Communications
Year of publication	2005
a	31.9711 ± 0.0013 Å
b	10.4764 ± 0.0004 Å
c	15.9719 ± 0.0007 Å
α	90°
β	91.655 ± 0.001°
γ	90°
Cell volume	5347.4 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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