Crystallography Open Database

Information card for entry 4085539

Preview

Coordinates	4085539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 N2 O Zn
Calculated formula	C30 H28 Cl2 N2 O 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	16.9142 ± 0.0009 Å
b	15.5131 ± 0.0007 Å
c	21.6462 ± 0.0012 Å
α	90°
β	110.811 ± 0.006°
γ	90°
Cell volume	5309.2 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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