Crystallography Open Database

Information card for entry 7121203

Preview

Coordinates	7121203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H21 F4 Ir N8 O9
Calculated formula	C33 H21 F4 Ir N8 O9
SMILES	[Ir]123(Oc4ccccc4C4OCC[N]1=4)([n]1n(c4c3cc(F)cc4F)ccc1)c1c(n3[n]2ccc3)c(F)cc(F)c1.Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O
Title of publication	Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with "aggregation-induced emission enhancement" (AIEE)-active iridium(iii) complexes.
Authors of publication	Che, Weilong; Li, Guangfu; Liu, Xingman; Shao, Kuizhan; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1730 - 1733
a	17.161 ± 0.003 Å
b	9.905 ± 0.002 Å
c	23.645 ± 0.005 Å
α	90 ± 0.03°
β	104.93 ± 0.03°
γ	90 ± 0.03°
Cell volume	3883.5 ± 1.4 Å³
Cell temperature	283 ± 2 K
Ambient diffraction temperature	283 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228395 (current)	2019-11-17	cif/ Updating files of 7121199, 7121200, 7121201, 7121202, 7121203 Original log message: Adding full bibliography for 7121199--7121203.cif.	7121203.cif
205855	2018-01-30	cif/ Adding structures of 7121199, 7121200, 7121201, 7121202, 7121203 via cif-deposit CGI script.	7121203.cif