Crystallography Open Database

Information card for entry 7208979

7208978 << 7208979 >> 7208980

Preview

Coordinates	7208979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Cu N3
Calculated formula	C8 H6 Cu N3
Title of publication	A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification
Authors of publication	Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	3
Pages of publication	447
a	5.9638 ± 0.0015 Å
b	12.926 ± 0.003 Å
c	9.457 ± 0.002 Å
α	90°
β	92.71 ± 0.005°
γ	90°
Cell volume	728.2 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.2326
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180420 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/89.	7208979.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208979.cif
73553	2013-02-20	cif/ Adding structures of 7208979, 7208980 via cif-deposit CGI script.	7208979.cif