Crystallography Open Database

Information card for entry 7040394

Preview

Coordinates	7040394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 F7 Ir N5
Calculated formula	C36 H27 F7 Ir N5
Title of publication	Room temperature blue phosphorescence: a combined experimental and theoretical study on the bis-tridentate Ir(iii) metal complexes.
Authors of publication	Kuei, Chu-Yun; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	39
Pages of publication	15364
a	11.3395 ± 0.0004 Å
b	15.5069 ± 0.0005 Å
c	19.0503 ± 0.0007 Å
α	74.4352 ± 0.0011°
β	85.0865 ± 0.0012°
γ	89.9465 ± 0.0012°
Cell volume	3214.26 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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