Crystallography Open Database

Information card for entry 4114268

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Coordinates	4114268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 Ir N3
Calculated formula	C45 H30 Ir N3
Title of publication	Homoleptic Cyclometalated Iridium Complexes with Highly Efficient Red Phosphorescence and Application to Organic Light-Emitting Diode
Authors of publication	Akira Tsuboyama; Hironobu Iwawaki; Manabu Furugori; Taihei Mukaide; Jun Kamatani; Satoshi Igawa; Takashi Moriyama; Seishi Miura; Takao Takiguchi; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12971 - 12979
a	16.4781 ± 0.0007 Å
b	16.4781 ± 0.0007 Å
c	15.9151 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3742.4 ± 0.3 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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