Crystallography Open Database

Information card for entry 7214550

Preview

Coordinates	7214550.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ThrZnOAc
Formula	C12 H26 N2 O10 Zn
Calculated formula	C12 H16 N2 O10 Zn
Title of publication	Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks
Authors of publication	Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9634
a	17.4807 ± 0.0003 Å
b	17.4807 ± 0.0003 Å
c	10.435 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2761.47 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214550.cif
110299	2014-04-18	cif/ Adding structures of 7214550 via cif-deposit CGI script.	7214550.cif