Crystallography Open Database

Information card for entry 4337009

Preview

Coordinates	4337009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N4 O8 Zn
Calculated formula	C22 H18 N4 O8 Zn
Title of publication	Electronic, Optical, and Computational Studies of a Redox-Active Napthalenediimide-Based Coordination Polymer
Authors of publication	Chanel F. Leong; Bun Chan; Thomas B. Faust; Peter Turner; Deanna M. D'Alessandro
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14246 - 14252
a	7.5108 ± 0.0002 Å
b	8.1831 ± 0.0002 Å
c	17.6865 ± 0.0004 Å
α	92.283 ± 0.002°
β	94.663 ± 0.002°
γ	97.343 ± 0.002°
Cell volume	1073.17 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.451
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337009.cif
103075	2014-02-25	cif/ Adding structures of 4337009 via cif-deposit CGI script.	4337009.cif