Crystallography Open Database

Information card for entry 4085535

Preview

Coordinates	4085535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl2 N2 Zn
Calculated formula	C26 H20 Cl2 N2 Zn
Title of publication	Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents
Authors of publication	Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2422
a	11.5832 ± 0.0003 Å
b	11.9827 ± 0.0004 Å
c	16.3451 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2268.67 ± 0.12 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085535.cif
140213	2015-07-05	cif/ Updating files of 4085532, 4085533, 4085534, 4085535, 4085536, 4085537, 4085538, 4085539, 4085540, 4085541, 4085542, 4085543 Original log message: Adding full bibliography for 4085532--4085543.cif.	4085535.cif
132108	2015-02-20	cif/ Adding structures of 4085532, 4085533, 4085534, 4085535, 4085536, 4085537, 4085538, 4085539, 4085540, 4085541, 4085542, 4085543 via cif-deposit CGI script.	4085535.cif