Crystallography Open Database

Information card for entry 7702243

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Coordinates	7702243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H17 N S
Calculated formula	C27 H17 N S
Title of publication	Novel phosphorescent triptycene-based Ir(iii) complexes for organic light-emitting diodes.
Authors of publication	Wang, Yue; Xiao, Yu-Ping; Zhou, Yue-Yue; Hu, Cheng-Gui; Tong, Bi-Hai; Ye, Shang-Hui; Mei, Qun-Bo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	43
Pages of publication	16289 - 16297
a	11.9187 ± 0.001 Å
b	21.3168 ± 0.0017 Å
c	15.1658 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3853.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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