Crystallography Open Database

Information card for entry 7054620

Preview

Coordinates	7054620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 N4 O3 Zn
Calculated formula	C6 H4 N3 O2 Zn
Title of publication	Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis
Authors of publication	Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	4
Pages of publication	2669
a	13.4761 ± 0.0019 Å
b	13.4761 ± 0.0019 Å
c	27.254 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4949.5 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
180100 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46.	7054620.cif
135067	2015-04-06	cif/ Updating files of 7054620 Original log message: Adding full bibliography for 7054620.cif.	7054620.cif
129461	2015-01-08	cif/ Adding structures of 7054620 via cif-deposit CGI script.	7054620.cif