Crystallography Open Database

Information card for entry 7112093

7112092 << 7112093 >> 7112094

Preview

Coordinates	7112093.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	11.092 ± 0.002 Å
b	11.997 ± 0.002 Å
c	12.063 ± 0.002 Å
α	78.43 ± 0.03°
β	73.91 ± 0.03°
γ	89.64 ± 0.03°
Cell volume	1508.9 ± 0.5 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	0.1101
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	7112093.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112093.cif
104636	2014-03-11	cif/ Adding structures of 7112092, 7112093 via cif-deposit CGI script.	7112093.cif