Crystallography Open Database

Information card for entry 7035294

Preview

Coordinates	7035294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cl2 N2 O2 Zn
Calculated formula	C36 H24 Cl2 N2 O2 Zn
SMILES	C12C(c3c4c1cccc4ccc3)=[N](c1ccc(cc1)Oc1ccccc1)[Zn](Cl)(Cl)[N]=2c1ccc(cc1)Oc1ccccc1
Title of publication	Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.
Authors of publication	Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	26
Pages of publication	11984 - 11996
a	14.0015 ± 0.0009 Å
b	11.7228 ± 0.0009 Å
c	17.9471 ± 0.0012 Å
α	90°
β	91.996 ± 0.006°
γ	90°
Cell volume	2944 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2048
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.3155
Weighted residual factors for all reflections included in the refinement	0.3473
Goodness-of-fit parameter for all reflections included in the refinement	1.409
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
143472 (current)	2015-07-11	cif/ Updating files of 7035288, 7035289, 7035290, 7035291, 7035292, 7035293, 7035294, 7035295, 7035296, 7035297, 7035298, 7035299, 7035300, 7035301, 7035302 Original log message: Adding full bibliography for 7035288--7035302.cif.	7035294.cif
137683	2015-06-03	cif/ Adding structures of 7035288, 7035289, 7035290, 7035291, 7035292, 7035293, 7035294, 7035295, 7035296, 7035297, 7035298, 7035299, 7035300, 7035301, 7035302 via cif-deposit CGI script.	7035294.cif