Crystallography Open Database

Information card for entry 4105484

Preview

Coordinates	4105484.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn(CO2C6H5-CN4-C6H4CO2)(H2O)2
Formula	C15 H10 N4 O5 Zn
Calculated formula	C15 H10 N4 O5 Zn
Title of publication	Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State
Authors of publication	Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	18036 - 18037
a	16.3473 ± 0.001 Å
b	6.2913 ± 0.0004 Å
c	7.0714 ± 0.0004 Å
α	90°
β	95.929 ± 0.002°
γ	90°
Cell volume	723.37 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
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
178800 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/54.	4105484.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105484.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105484.cif
30680	2011-11-14	../uploads/cif-deposit/cod/cif Adding structures of 4105484 via cif-deposit CGI script.	4105484.cif