Crystallography Open Database

Information card for entry 7237769

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Coordinates	7237769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H33 Cl2 Ir N3 O2 S2
Calculated formula	C43.989 H32.977 Cl1.984 Ir N3 O2 S2
Title of publication	Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs
Authors of publication	Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	14
Pages of publication	4143
a	19.425 ± 0.004 Å
b	17.305 ± 0.003 Å
c	22.923 ± 0.01 Å
α	90°
β	109.86 ± 0.03°
γ	90°
Cell volume	7247 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.62 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238594 (current)	2019-11-24	cif/ Adding structures of 7237768, 7237769 via cif-deposit CGI script.	7237769.cif