Crystallography Open Database

Information card for entry 7234502

Preview

Coordinates	7234502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 Cl2 Cu N6 O2
Calculated formula	C40 H24 Cl2 Cu N6 O2
SMILES	[Cu]123(Cl)(Cl)[O](c4c(c5c6c(cc(c5[O]1Cc1[n]3cccc1)C=C(C#N)C#N)cccc6)c1ccccc1cc4C=C(C#N)C#N)Cc1[n]2cccc1
Title of publication	BINOL-based chiral aggregation-induced emission luminogens and their application in detecting copper(ii) ions in aqueous media
Authors of publication	Nan Li; Honglian Feng; Qian Gong; Chunxiao Wu; Hao Zhou; Zhiyan Huang; Jun Yang; Xiaohua Chen; Na Zhao
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	11458 - 11463
a	12.79416 ± 0.00014 Å
b	12.79416 ± 0.00014 Å
c	44.6986 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7316.74 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219200 (current)	2019-10-09	cif/ Adding structures of 7234502 via cif-deposit CGI script.	7234502.cif