Crystallography Open Database

Information card for entry 4117291

Preview

Coordinates	4117291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H4 N12 Zn
Calculated formula	C9 H4 N12 Zn
Title of publication	Single-Walled Polytetrazolate Metal-Organic Channels with High Density of Open Nitrogen-Donor Sites and Gas Uptake
Authors of publication	Qipu Lin; Tao Wu; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	784 - 787
a	15.4962 ± 0.0007 Å
b	15.4962 ± 0.0007 Å
c	13.7523 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3302.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178943 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/72.	4117291.cif
74360	2013-02-26	cif/ Adding structures of 4117291 via cif-deposit CGI script.	4117291.cif