Crystallography Open Database

Information card for entry 4105486

Preview

Coordinates	4105486.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn(CO2C6H5-CN4-C6H4CO2)(NH3)2
Formula	C15 H14 N6 O4 Zn
Calculated formula	C15 H14 N6 O4 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	6.0952 ± 0.0011 Å
b	10.4482 ± 0.0019 Å
c	25.943 ± 0.005 Å
α	90°
β	102.915 ± 0.004°
γ	90°
Cell volume	1610.4 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
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
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.	4105486.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105486.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105486.cif
30682	2011-11-14	../uploads/cif-deposit/cod/cif Adding structures of 4105486 via cif-deposit CGI script.	4105486.cif