Crystallography Open Database

Information card for entry 7112092

7112091 << 7112092 >> 7112093

Preview

Coordinates	7112092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 N4 O13 Zn2
Calculated formula	C30 H20 N4 O13 Zn2
Title of publication	Single-crystal-to-single-crystal transformation of a two-dimensional coordination polymer through highly selective [2+2] photodimerization of a conjugated dialkene
Authors of publication	Dong Liu; Hui-Fang Wang; Brendan F. Abrahams; Jian-Ping Lang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3173
a	10.905 ± 0.002 Å
b	12.399 ± 0.003 Å
c	11.809 ± 0.002 Å
α	79.53 ± 0.03°
β	74.15 ± 0.03°
γ	89.19 ± 0.03°
Cell volume	1509.4 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0372
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112092.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112092.cif
104636	2014-03-11	cif/ Adding structures of 7112092, 7112093 via cif-deposit CGI script.	7112092.cif