Crystallography Open Database

Information card for entry 4329574

Preview

Coordinates	4329574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H33 Cl5 N6 Zn2
Calculated formula	C50.5 H33 Cl5 N6 Zn2
Title of publication	Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes
Authors of publication	Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7039 - 7049
a	18.463 ± 0.001 Å
b	9.142 ± 0.0005 Å
c	35.166 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5935.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329574.cif
78631	2013-04-02	cif/ Adding structures of 4329574 via cif-deposit CGI script.	4329574.cif