Crystallography Open Database

Information card for entry 7233143

Preview

Coordinates	7233143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 F10 Ir N8 P
Calculated formula	C30 H26 F10 Ir N8 P
SMILES	c12cc(cc(c1n1ccc[n]1[Ir]132(c2cc(cc(c2n2ccc[n]12)F)F)[n]1ccccc1c1[n]3c(C)nn1CCCC)F)F.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Controllable synthesis of iridium(III)-based aggregation-induced emission and/or piezochromic luminescence phosphors by simply adjusting the substitution on ancillary ligands
Authors of publication	Guo-Gang Shan; Hai-Bin Li; Hai-Zhu Sun; Dong-Xia Zhu; Hong-Tao Cao; Zhong-Min Su
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	1440 - 1449
a	9.795 ± 0.005 Å
b	9.798 ± 0.005 Å
c	19.81 ± 0.005 Å
α	95.148 ± 0.005°
β	97.711 ± 0.005°
γ	118.407 ± 0.005°
Cell volume	1631.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2611
Weighted residual factors for all reflections included in the refinement	0.2662
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217060 (current)	2019-07-16	cif/ Adding structures of 7233143 via cif-deposit CGI script.	7233143.cif